SCHEMBL4052689

SCHEMBL4052689

CC(C)(C)OC(=O)N1CCC([C]=O)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.55
RECQL P46063 1/20 0.53
EPHX1 P07099 1/20 0.53
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GPR119 Q8TDV5 7/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
THRB P10828 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4524244 0.90 HPGD (0.49) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL311155 0.86 HPGD (0.55) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL25203851 0.84 HPGD (0.54) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL427670 0.84 HPGD (0.58) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL16897017 0.83 HPGD (0.60) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL15644289 0.83 HPGD (0.60) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL12820311 0.83 HPGD (0.53) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL1904451 0.81 NR1H2 (0.51) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL56905 0.81 MAPT (0.53) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL15203221 0.81 HPGD (0.51) HPGDRECQLEPHX1USP2SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 81 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 US claimed
US-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2009-04-16 US claimed
WO-2008100621-A2 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
EP-1558581-A4 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2007-07-25 EP claimed
US-7074810-B2 Triazolone and triazolethione derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-11 US claimed
EP-1558581-A2 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES Bristol-Myers Squibb Company (US) 2005-08-03 EP claimed
US-20040116491-A1 Triazolone and triazolethione derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-06-17 US claimed
WO-2004032846-A2 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-22 WO claimed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US claimed
US-20030092634-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2003-05-15 US claimed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO claimed
US-6506733-B1 Which process comprises hydrogenating a compound of Formula 9: presence of a catalytic amount of 20% palladium hydroxide on carbon. AXYS PHARMACEUTICALS, INC. 2003-01-14 US claimed
JP-2002539201-A 2002-11-19 JP claimed
EP-1161422-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP claimed
EP-1159260-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-05 EP claimed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP claimed
WO-2000055144-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO claimed
WO-2000055124-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO claimed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO claimed
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 US disclosed
EP-1397137-B1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2009-10-14 EP disclosed
US-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-7482372-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
EP-1558581-A4 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2007-07-25 EP disclosed
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
EP-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
US-7091360-B2 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof AVENTIS PHARMA S.A. (US) 2006-08-15 US disclosed
US-7074810-B2 Triazolone and triazolethione derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-11 US disclosed
US-20060135781-A1 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof AVENTIS PHARMACEUTICALS, INC. 2006-06-22 US disclosed
US-7041693-B2 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-09 US disclosed
EP-1495007-A4 PROCESS FOR PREPARING HETEROARYL AND UNSATURATED HETEROCYCLOALKYLMAGNESIUM REAGENTS AND USES AXYS PHARM INC (US) 2006-05-03 EP disclosed
CN-1723199-A 1,4-disubstituted piperidine derivatives and their use as 11-beta hsd1 inhibitors ASTRAZENECA AB (SE) 2006-01-18 CN disclosed
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1546109-A4 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) BRISTOL MYERS SQUIBB CO (US) 2005-11-09 EP disclosed
US-20050171096-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) SHEPPECK JAMES E (US) 2005-08-04 US disclosed
EP-1558581-A2 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES Bristol-Myers Squibb Company (US) 2005-08-03 EP disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
EP-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed
EP-1546109-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) Bristol-Myers Squibb Company (US) 2005-06-29 EP disclosed
US-6906053-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US disclosed
US-6900237-B2 Sulfonamide compounds as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-05-31 US disclosed
US-6890915-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-05-10 US disclosed
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
EP-1495007-A1 PROCESS FOR PREPARING HETEROARYL AND UNSATURATED HETEROCYCLOALKYLMAGNESIUM REAGENTS AND USES AXYS PHARMACEUTICALS, INC. (US) 2005-01-12 EP disclosed
US-20040209874-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) SHEPPECK JAMES E (US) 2004-10-21 US disclosed
EP-1397137-A4 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP disclosed
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 EP disclosed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 US disclosed
US-20040116491-A1 Triazolone and triazolethione derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-06-17 US disclosed
WO-2004033632-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-22 WO disclosed
WO-2004032846-A2 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-22 WO disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 WO disclosed
US-20040067996-A1 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY 2004-04-08 US disclosed
EP-1397137-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-17 EP disclosed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 EP disclosed
US-20040019218-A1 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof AXYS PHARMACEUTICALS, INC. 2004-01-29 US disclosed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
WO-2003087068-A1 PROCESS FOR PREPARING HETEROARYL AND UNSATURATED HETEROCYCLOALKYLMAGNESIUM REAGENTS AND USES AXYS PHARMACEUTICALS, INC. (US) 2003-10-23 WO disclosed
US-20030158231-A1 Sulfonamide compounds as protease inhibitors Celera Corporation 2003-08-21 US disclosed
US-6593327-B2 N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates AXYS PHARMACEUTICALS, INC. 2003-07-15 US disclosed
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-10 US disclosed
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US disclosed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 US disclosed
US-20030092634-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2003-05-15 US disclosed
WO-2003024923-A1 SULFONAMIDE COMPOUNDS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-03-27 WO disclosed
US-6506733-B1 Which process comprises hydrogenating a compound of Formula 9: presence of a catalytic amount of 20% palladium hydroxide on carbon. AXYS PHARMACEUTICALS, INC. 2003-01-14 US disclosed
WO-2002096426-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 US disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 US disclosed
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 EP disclosed
EP-1161422-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
EP-1159260-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-05 EP disclosed
EP-1144403-A1 SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-10-17 EP disclosed
WO-2001068645-A2 N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-09-20 WO disclosed
WO-2000055144-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed
WO-2000055124-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 WO disclosed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (17 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 HPGD 541/4885RECQL 3370/4885EPHX1 595/4885
US-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 HPGD 541/4885RECQL 3370/4885EPHX1 595/4885
US-20040067996-A1 Hydantoin derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAM9, ADAMTS1 HPGD 190/4885RECQL 1599/4885EPHX1 323/4885
US-20040209874-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 HPGD 63/4885RECQL 802/4885EPHX1 299/4885
US-20040019218-A1 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof SPINT2, CTSV, CTSZ HPGD 363/4885RECQL 3716/4885EPHX1 307/4885
US-20030092634-A1 Novel compounds and compositions as protease inhibitors SERPINB1, HPN, CTRL HPGD 483/4885RECQL 3321/4885EPHX1 579/4885
US-20030158231-A1 Sulfonamide compounds as protease inhibitors PRSS1, PRSS3, SPINT2 HPGD 543/4885RECQL 4484/4885EPHX1 1010/4885
US-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S CTSS, CTSE, CTSK HPGD 1573/4885RECQL 4600/4885EPHX1 2129/4885
US-20050171096-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM9 HPGD 70/4885RECQL 641/4885EPHX1 217/4885
US-20060135781-A1 Process for preparing heteroaryl and unsaturated heterocycloalkylmagnesium reagents and uses thereof SPINT2, CTSV, CTSZ HPGD 363/4885RECQL 3716/4885EPHX1 307/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 HPGD 541/4885RECQL 3370/4885EPHX1 595/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 HPGD 541/4885RECQL 3370/4885EPHX1 595/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 HPGD 541/4885RECQL 3370/4885EPHX1 595/4885
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO MRGPRX1, MRGPRX2, AGTR1 HPGD 709/4885RECQL 2414/4885EPHX1 1463/4885
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 HPGD 39/4885RECQL 905/4885EPHX1 307/4885
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ HPGD 536/4885RECQL 4135/4885EPHX1 593/4885
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 HPGD 63/4885RECQL 802/4885EPHX1 299/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.