SCHEMBL4910657

SCHEMBL4910657

COC/C(N)=C/C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
DDAH1 O94760 2/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GFPT1 Q06210 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL7916712 1.00 HCAR2 (0.40) HCAR2KEAP1NFE2L2DDAH1TSHR
SCHEMBL4910662 1.00 HCAR2 (0.40) HCAR2KEAP1NFE2L2DDAH1TSHR
SCHEMBL10386531 0.83 ALOX15 (0.39) HCAR2KEAP1NFE2L2TSHRHSD17B10
SCHEMBL10386530 0.83 ALOX15 (0.39) HCAR2KEAP1NFE2L2TSHRHSD17B10
SCHEMBL11471057 0.81 HCAR2 (0.36) HCAR2KEAP1NFE2L2TSHRHSD17B10
SCHEMBL11471056 0.81 HCAR2 (0.36) HCAR2KEAP1NFE2L2TSHRHSD17B10
SCHEMBL4807131 0.81 NPSR1 (0.48) HCAR2DDAH1HSD17B10NPSR1
SCHEMBL4807139 0.81 NPSR1 (0.48) HCAR2DDAH1HSD17B10NPSR1
SCHEMBL4675106 0.79
SCHEMBL13531532 0.79

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021070-A1 PYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2008-01-24 US disclosed
US-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 US disclosed
EP-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 WO disclosed
US-6610717-B2 Selectively inhibits action of N-type calcium channel; treatment of ischemic cerebrovascular disorders caused by cerebral infarction or intracerebral bleeding, Alzheimer's disease, AIDS related dementia, Parkinson's disease AJINOMOTO CO., INC. (JP) 2003-08-26 US disclosed
US-20020193605-A1 New dihydropyridine derivatives AJINOMOTO CO. INC (JP) 2002-12-19 US disclosed
EP-1191022-A1 NOVEL DIHYDROPYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-03-27 EP disclosed
EP-0565059-B1 Indole derivative KYOWA HAKKO KOGYO KK (JP) 1996-07-31 EP disclosed
US-5344938-A Indole 3-carboxylic acid derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-09-06 US disclosed
EP-0565059-A1 Indole derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-10-13 EP disclosed
US-5198439-A Hypotensive agents, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-30 US disclosed
US-5130318-A Hypotensive agents and for treatment of congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-14 US disclosed
EP-0453210-A2 Pyridine derivatives ZENECA LIMITED (GB) 1991-10-23 EP disclosed
EP-0177965-B1 NOVEL OXA- AND THIADIAZOLYL DERIVATIVES AND THEIR USE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-03-21 EP disclosed
US-4705786-A Novel oxadiazolyl-1,4-dihydropyridines useful as antihypertensive agents SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-11-10 US disclosed
EP-0177965-A2 Novel oxa- and thiadiazolyl derivatives and their use SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-04-16 EP disclosed
EP-0001054-A2 2-Pyridyl-1,4-dihydropyridine derivatives, methods for their preparation and their pharmaceutical use BAYER AG (DE) 1979-03-21 EP disclosed
US-4020178-A 1,4-Dihydropyridine esters used as coronary dilators and anti-hypertensives BAYER AKTIENGESELLSCHAFT (DT) 1977-04-26 US disclosed
US-3974278-A 1,4-Dihydropyridine esters BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 US disclosed
US-3971796-A 1,4-Dihydropyridine esters BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 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 (3 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-20080021070-A1 PYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF CNR1, CNR2, GPR18 HCAR2 191/4885KEAP1 1992/4885NFE2L2 3513/4885
US-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD HCAR2 896/4885KEAP1 258/4885NFE2L2 551/4885
US-20020193605-A1 New dihydropyridine derivatives CACNA1B, CACNA1D, CACNA1C HCAR2 507/4885KEAP1 2334/4885NFE2L2 957/4885

“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.