SCHEMBL640445

SCHEMBL640445

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.58
CYP11B2 P19099 2/20 0.58
KDM1A O60341 1/20 0.55
HDAC1 Q13547 1/20 0.55
ATM Q13315 1/20 0.50
SCN10A Q9Y5Y9 2/20 0.49
CYP2A6 P11509 1/20 0.49
LMNA P02545 1/20 0.47
XDH P47989 3/20 0.46
NOTUM Q6P988 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
CFTR P13569 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
AAK1 Q2M2I8 1/20 0.44
S1PR1 P21453 1/20 0.44
PDGFRB P09619 1/20 0.43

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
SCHEMBL1056678 0.90 CYP11B1 (0.56) CYP11B1CYP11B2KDM1AHDAC1ATM
SCHEMBL341924 0.85 CYP11B1 (0.54) CYP11B1CYP11B2ATMCYP2A6KDM4E
SCHEMBL640303 0.85 MAOB (0.54) CYP11B1CYP11B2KDM1AHDAC1SCN10A
SCHEMBL640664 0.84 SCN10A (0.67) CYP11B1CYP11B2ATMSCN10ACYP2A6
SCHEMBL2906199 0.84 CYP11B1 (0.62) CYP11B1CYP11B2ATMSCN10ACYP2A6
SCHEMBL28017939 0.83 KDM1A (0.50) CYP11B1CYP11B2KDM1AHDAC1SCN10A
SCHEMBL12720202 0.83 KDM1A (0.49) CYP11B1CYP11B2KDM1AHDAC1SCN10A
SCHEMBL1051864 0.83 CYP2A6 (0.50) CYP11B1CYP11B2KDM1AHDAC1ATM
SCHEMBL3715051 0.83 ATM (0.69) CYP11B1CYP11B2ATMCYP2A6LMNA
SCHEMBL13876033 0.82 KDM1A (0.54) CYP11B1CYP11B2KDM1AHDAC1SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-102482270-B Substituted piperidines BAYER IP GMBH 2015-02-25 CN 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 CYP11B1 127/4885CYP11B2 103/4885KDM1A 2483/4885
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 CYP11B1 107/4885CYP11B2 60/4885KDM1A 3906/4885
US-20150183773-A1 Substituted piperidines VHL, PIR, PIGO CYP11B1 680/4885CYP11B2 417/4885KDM1A 3492/4885

“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.