SCHEMBL640664

SCHEMBL640664

COC(=O)c1cncc(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.67
CYP11B1 P15538 2/20 0.64
CYP11B2 P19099 2/20 0.64
ABL1 P00519 10/20 0.60
OPRM1 P35372 1/20 0.57
KCNH2 Q12809 1/20 0.57
ALPL P05186 1/20 0.53
AURKA O14965 1/20 0.50
TPX2 Q9ULW0 1/20 0.50
ATM Q13315 1/20 0.49
PRMT6 Q96LA8 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
CYP2A6 P11509 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAP4K4 O95819 1/20 0.48

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
SCHEMBL5326283 0.85 CYP11B1 (0.79) SCN10ACYP11B1CYP11B2ATMCYP2A6
SCHEMBL641681 0.85 SCN10A (0.63) SCN10ACYP11B1CYP11B2ABL1OPRM1
SCHEMBL643702 0.85 CYP11B1 (0.56) SCN10ACYP11B1CYP11B2ABL1OPRM1
SCHEMBL12719947 0.85 SCN10A (0.59) SCN10ACYP11B1CYP11B2ABL1OPRM1
SCHEMBL1758378 0.84 SCN10A (0.61) SCN10ACYP11B1CYP11B2ABL1OPRM1
SCHEMBL640445 0.84 CYP11B1 (0.58) SCN10ACYP11B1CYP11B2ABL1ATM
SCHEMBL25003797 0.84 SCN10A (0.67) SCN10AABL1OPRM1KCNH2AURKA
SCHEMBL9606759 0.84 SCN10A (0.61) SCN10ACYP11B1CYP11B2ABL1OPRM1
SCHEMBL1056678 0.83 CYP11B1 (0.56) SCN10ACYP11B1CYP11B2ABL1ALPL
SCHEMBL27996366 0.83 SCN10A (0.60) SCN10ACYP11B1CYP11B2ABL1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023010192-A1 N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS EUROFARMA LABORATÓRIOS S.A. (BR) 2023-02-09 WO disclosed
EP-2411363-B1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER IP GMBH (DE) 2015-10-07 EP disclosed
CN-102596944-B Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-26 CN disclosed
US-20150183773-A1 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-02 US disclosed
US-20150183773-A1 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-02 US disclosed
US-20150183773-A1 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-02 US disclosed
CN-104744452-A Substituted piperidines Bayer Pharma AG 2015-07-01 CN disclosed
US-8987248-B2 Substituted piperidines as Par-1 antagonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8987248-B2 Substituted piperidines as Par-1 antagonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8987248-B2 Substituted piperidines as Par-1 antagonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
WO-2010108608-A1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 WO disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 US disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 WO disclosed
US-7429605-B2 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-30 US disclosed
CN-101213186-A Phenylpyridine derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-07-02 CN disclosed
EP-1912969-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-23 EP disclosed
WO-2007017169-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO disclosed
US-20070032530-A1 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. 2007-02-08 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-20070032530-A1 Phenylpyridine derivatives CYP3A5, QDPR, DPYD SCN10A 1868/4885CYP11B1 127/4885CYP11B2 103/4885
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 SCN10A 3715/4885CYP11B1 107/4885CYP11B2 60/4885
US-20150183773-A1 Substituted piperidines VHL, PIR, PIGO SCN10A 2650/4885CYP11B1 680/4885CYP11B2 417/4885

“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.