SCHEMBL643702

SCHEMBL643702

COC(=O)c1cncc(-c2cccc(OC(F)(F)F)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.56
CYP11B2 P19099 3/20 0.56
ABL1 P00519 7/20 0.54
OPRM1 P35372 1/20 0.54
KCNH2 Q12809 1/20 0.54
SCN10A Q9Y5Y9 1/20 0.51
ALPL P05186 2/20 0.50
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
CYP19A1 P11511 1/20 0.47
NEK1 Q96PY6 1/20 0.47
RIPK1 Q13546 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
ATM Q13315 1/20 0.46
CDK8 P49336 1/20 0.45
MRGPRX4 Q96LA9 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
SCHEMBL13808183 0.87 CYP11B1 (0.56) CYP11B1CYP11B2PRMT5WDR77CYP19A1
SCHEMBL640664 0.85 SCN10A (0.67) CYP11B1CYP11B2ABL1OPRM1KCNH2
SCHEMBL1580668 0.84 CYP11B1 (0.47) CYP11B1CYP11B2ABL1OPRM1KCNH2
SCHEMBL341924 0.83 CYP11B1 (0.54) CYP11B1CYP11B2CYP19A1NEK1GABRG2
SCHEMBL17396713 0.81 CYP11B1 (0.58) CYP11B1CYP11B2ABL1OPRM1KCNH2
SCHEMBL642577 0.80 CYP11B1 (0.54) CYP11B1CYP11B2ABL1OPRM1KCNH2
SCHEMBL1054463 0.80 CYP11B2 (0.54) CYP11B1CYP11B2ABL1OPRM1KCNH2
SCHEMBL12720228 0.80 CYP11B1 (0.51) CYP11B1CYP11B2ABL1OPRM1KCNH2
SCHEMBL10093458 0.80 ATM (0.59) CYP11B1CYP11B2ALPLPRMT5WDR77
SCHEMBL31418026 0.80 CYP11B1 (0.59) CYP11B1CYP11B2PRMT5WDR77CYP19A1

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 9 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
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

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 60/4885ABL1 723/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 CYP11B1 107/4885CYP11B2 60/4885ABL1 723/4885

“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.