SCHEMBL643071

SCHEMBL643071

COC(=O)c1cncc(-c2ccc(C)c(C(F)(F)F)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.56
CYP11B2 P19099 7/20 0.56
CYP2A6 P11509 1/20 0.51
ATM Q13315 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.46
SLC2A1 P11166 1/20 0.44
NOTUM Q6P988 3/20 0.44
IRAK4 Q9NWZ3 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CFTR P13569 1/20 0.42
CYP19A1 P11511 1/20 0.41
S1PR1 P21453 2/20 0.41
NR1H2 P55055 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41

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
SCHEMBL1054060 0.85 CYP11B2 (0.62) CYP11B1CYP11B2CYP2A6ATMNOTUM
SCHEMBL641533 0.84 CYP11B2 (0.64) CYP11B1CYP11B2CYP2A6ATMSLC2A1
SCHEMBL640445 0.81 CYP11B1 (0.58) CYP11B1CYP11B2CYP2A6ATMSCN10A
SCHEMBL642577 0.80 CYP11B1 (0.54) CYP11B1CYP11B2CYP2A6ATMSCN10A
SCHEMBL1580505 0.80 CYP11B1 (0.50) CYP11B1CYP11B2SCN10ANOTUMCYP1A2
SCHEMBL3715051 0.78 ATM (0.69) CYP11B1CYP11B2CYP2A6ATMCYP1A2
SCHEMBL341924 0.78 CYP11B1 (0.54) CYP11B1CYP11B2CYP2A6ATMCYP1A2
SCHEMBL640664 0.77 SCN10A (0.67) CYP11B1CYP11B2CYP2A6ATMSCN10A
SCHEMBL1056678 0.77 CYP11B1 (0.56) CYP11B1CYP11B2CYP2A6ATMSCN10A
SCHEMBL2772563 0.77 NOTUM (0.64) ATMNOTUMGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
US-8119663-B2 Heteroaryl-substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-21 US disclosed
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP 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 (2 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 60/4885CYP2A6 270/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 CYP11B1 107/4885CYP11B2 60/4885CYP2A6 270/4885

“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.