SCHEMBL772203

SCHEMBL772203

[CH2]CN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ CHRM2 P08172 1/20 0.49
▸ CHRM4 P08173 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ CHRM3 P20309 1/20 0.49
▸ HPGD P15428 1/20 0.45
▸ EPHX2 P34913 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NR1H2 P55055 1/20 0.42

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
SCHEMBL1785864 0.86 USP2 (0.50) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL8242595 0.85 USP2 (0.61) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL698803 0.84 USP2 (0.69) USP2SMN1; SMN2HPGDEPHX2ALDH1A1
SCHEMBL18294 0.84 USP2 (0.69) USP2SMN1; SMN2HPGDEPHX2ALDH1A1
SCHEMBL863104 0.83 USP2 (0.55) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL5573083 0.83 USP2 (0.55) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL5543923 0.83 USP2 (0.47) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL10283320 0.83 ALDH1A1 (0.52) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL5544400 0.82 USP2 (0.46) USP2SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL20742697 0.81 USP2 (0.53) USP2SMN1; SMN2CHRM2CHRM4CHRM1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920010-B2 CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2018-03-20 — — US disclosed
EP-3004082-B1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-02 — — EP disclosed
US-20160107997-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2016-04-21 — — US disclosed
EP-3004082-A1 CXCR7 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2016-04-13 — — EP disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 — — CN disclosed
WO-2014191929-A1 CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-12-04 — — WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 — — EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 — — EP disclosed
EP-1931670-B1 PYRIDOPYRIMIDINONE INHIBITORS OF PI3K EXELIXIS INC (US) 2012-09-12 — — EP disclosed
US-8247408-B2 Pyridopyrimidinone inhibitors of PI3Kα for the treatment of cancer EXELIXIS, INC. (US) 2012-08-21 — — US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 — — US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 — — EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 — — US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 — — US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 — — CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 — — EP disclosed
US-6846925-B2 Colchinol derivatives as angiogenesis inhibitors ANGIOGENE PHARMACEUTICALS LIMITED (GB) 2005-01-25 — — US disclosed
US-20040142909-A1 Colchinol derivatives as angiogenesis inhibitors ANGIOGENE PHARMACEUTICALS LIMITED 2004-07-22 — — US disclosed
US-6720323-B2 N-((5S)-3,9,10,11-TETRAMETHOXY-6,7-DIHYDRO-5H-DIBENZO(A,C) CYCLOHEPTEN-5-YL)-2-(2-AMINOACETYLAMINO)ACETAMIDE; DESTROYS NEWLY FORMED VASCULATURE WHILE LEAVING UNAFFECTED NORMAL, MATURE VASCULATURE. ANGIOGENE PHARMACEUTICALS LIMITED (GB) 2004-04-13 — — US disclosed
US-20030195173-A1 Colchinol derivatives as angiogenesis inhibitors ANGIOGENE PHARMACEUTICALS LIMITED (GB) 2003-10-16 — — US 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 (6 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-20160107997-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 USP2 4408/4885SMN1; SMN2 4354/4885CHRM2 270/4885
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 USP2 3512/4885SMN1; SMN2 4306/4885CHRM2 4885/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 USP2 3074/4885SMN1; SMN2 3985/4885CHRM2 862/4885
US-20030195173-A1 Colchinol derivatives as angiogenesis inhibitors FLT1, CCNO, FLT4 USP2 2541/4885SMN1; SMN2 2858/4885CHRM2 3141/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 USP2 4191/4885SMN1; SMN2 4399/4885CHRM2 4880/4885
US-20040142909-A1 Colchinol derivatives as angiogenesis inhibitors FLT1, CCNO, FLT4 USP2 2540/4885SMN1; SMN2 2875/4885CHRM2 3098/4885

“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.

Send feedback