SCHEMBL797983

SCHEMBL797983

CC(C)(C)OC(=O)N1CC=C(N2CCOCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
RECQL P46063 1/20 0.46
PDK4 Q16654 1/20 0.45
GPR119 Q8TDV5 2/20 0.44
GRM5 P41594 6/20 0.44
GRM1 Q13255 6/20 0.42
NAMPT P43490 1/20 0.42
USP30 Q70CQ3 1/20 0.41
ESR2 Q92731 1/20 0.40
PIK3CA P42336 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL1016428 0.87 PDK4 (0.47) USP2SMN1; SMN2PDK4GPR119GRM5
SCHEMBL17484338 0.85 PDK4 (0.46) USP2SMN1; SMN2PDK4GRM5GRM1
SCHEMBL22324934 0.81 GPR119 (0.55) USP2SMN1; SMN2PDK4GPR119GRM5
SCHEMBL3771855 0.80 SMN1; SMN2 (0.47) SMN1; SMN2PIK3CALMNAMAPTALDH1A1
SCHEMBL2483038 0.78 CYP2C9 (0.38) USP2PIK3CALMNAMAPTMEN1
SCHEMBL15000447 0.78 CYP11B2 (0.49) USP2SMN1; SMN2PDK4GPR119GRM5
SCHEMBL25339160 0.77 USP2 (0.50) USP2SMN1; SMN2RECQLPDK4GPR119
SCHEMBL27012615 0.77 PDK4 (0.44) USP2SMN1; SMN2PDK4GRM5GRM1
SCHEMBL1968116 0.77 SMN1; SMN2 (0.59) USP2SMN1; SMN2RECQLLMNAMAPT
SCHEMBL20546471 0.75 GRM1 (0.54) USP2SMN1; SMN2PDK4GPR119GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009102937-A1 PROCESSES FOR THE PREPARATION OF CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2009-08-20 WO claimed
EP-2615916-B1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-01-04 EP disclosed
EP-2615916-B1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-01-04 EP disclosed
EP-2334676-B1 SUBSTITUTED 3-AMINO-1-OXO OR THIOXO-1,2,5,6,7,8-HEXAHYDRO-2,7-NAPHTHYRIDINE-4-CARBONITRILES AS SELECTIVE ALPHA 2B ANTAGONISTS ALLERGAN INC (US) 2016-07-06 EP disclosed
EP-2334676-B1 SUBSTITUTED 3-AMINO-1-OXO OR THIOXO-1,2,5,6,7,8-HEXAHYDRO-2,7-NAPHTHYRIDINE-4-CARBONITRILES AS SELECTIVE ALPHA 2B ANTAGONISTS ALLERGAN INC (US) 2016-07-06 EP disclosed
US-9242981-B2 Fused pyrazole derivatives as novel ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-9242981-B2 Fused pyrazole derivatives as novel ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-9242981-B2 Fused pyrazole derivatives as novel ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
CN-104530045-A Pyrazolo[4,3-c]tetrahydropyridine c-Met kinase inhibitors as well as preparation method and application thereof UNIV CHINA PHARMA 2015-04-22 CN disclosed
EP-2615916-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-24 EP disclosed
US-20080275052-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 US disclosed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US disclosed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 WO disclosed
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP 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 (4 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-20080275052-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS MAP2K2, MAP2K6, MAP2K1 USP2 4220/4885SMN1; SMN2 3169/4885RECQL 3337/4885
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 USP2 3136/4885SMN1; SMN2 2291/4885RECQL 1997/4885
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ USP2 2020/4885SMN1; SMN2 4487/4885RECQL 4413/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF USP2 2862/4885SMN1; SMN2 1570/4885RECQL 2534/4885

“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.