SCHEMBL641553

SCHEMBL641553

CCc1ccc(-c2cncc(C(=O)OC)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.60
CYP11B2 P19099 3/20 0.60
ATM Q13315 1/20 0.53
CYP2A6 P11509 1/20 0.51
S1PR1 P21453 1/20 0.51
HDAC1 Q13547 2/20 0.50
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50
KDM1A O60341 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
XDH P47989 4/20 0.48
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
SLC22A12 Q96S37 1/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL3730017 0.87 CYP11B1 (0.56) CYP11B1CYP11B2ATMCYP2A6S1PR1
SCHEMBL640338 0.87 CYP2C9 (0.59) CYP11B1CYP11B2HDAC1CCNCCDK8
SCHEMBL3715051 0.85 ATM (0.69) CYP11B1CYP11B2ATMCYP2A6S1PR1
SCHEMBL1056598 0.85 CYP11B1 (0.54) CYP11B1CYP11B2ATMCYP2A6S1PR1
SCHEMBL25002964 0.84 CYP11B2 (0.63) CYP11B1CYP11B2ATMCYP2A6S1PR1
SCHEMBL25002936 0.84 CYP11B1 (0.64) CYP11B1CYP11B2ATMCYP2A6S1PR1
SCHEMBL4592444 0.83 CYP11B1 (0.62) CYP11B1CYP11B2ATMCYP2A6MAPT
SCHEMBL5326283 0.83 CYP11B1 (0.79) CYP11B1CYP11B2ATMCYP2A6HDAC1
SCHEMBL2906199 0.83 CYP11B1 (0.62) CYP11B1CYP11B2ATMCYP2A6S1PR1
SCHEMBL9008962 0.83 CYP11B1 (0.61) CYP11B1CYP11B2ATMCYP2A6CDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20130252948-A1 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-26 US disclosed
WO-2010136138-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed
WO-2010136127-A1 SUBSTITUTED 3-(1,2,4-OXADIAZOL-5-YL)-5-PHENYLPIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed
WO-2010136144-A1 SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 WO disclosed
US-20100305111-A1 SUBSTITUTED PIPERIDINES Bayer Schering Pharma (DE) 2010-12-02 US disclosed
US-20100305111-A1 SUBSTITUTED PIPERIDINES Bayer Schering Pharma (DE) 2010-12-02 US disclosed
US-20100305111-A1 SUBSTITUTED PIPERIDINES Bayer Schering Pharma (DE) 2010-12-02 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
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

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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 CYP11B1 107/4885CYP11B2 60/4885ATM 4056/4885
US-20100305111-A1 SUBSTITUTED PIPERIDINES VHL, PIR, PTGIS CYP11B1 1246/4885CYP11B2 922/4885ATM 4039/4885
US-20130252948-A1 Substituted piperidines VHL, PIR, PTGIS CYP11B1 1246/4885CYP11B2 922/4885ATM 4039/4885
US-20150183773-A1 Substituted piperidines VHL, PIR, PIGO CYP11B1 680/4885CYP11B2 417/4885ATM 4100/4885

“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.