SCHEMBL641533

SCHEMBL641533

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.64
CYP11B1 P15538 5/20 0.64
CYP2A6 P11509 1/20 0.58
ATM Q13315 1/20 0.57
SLC2A1 P11166 1/20 0.53
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP19A1 P11511 1/20 0.47
S1PR1 P21453 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CDK8 P49336 1/20 0.45
XDH P47989 3/20 0.45
NEK1 Q96PY6 2/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 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
SCHEMBL3715051 0.85 ATM (0.69) CYP11B2CYP11B1CYP2A6ATMCYP1A2
SCHEMBL643071 0.84 CYP11B1 (0.56) CYP11B2CYP11B1CYP2A6ATMSLC2A1
SCHEMBL642577 0.82 CYP11B1 (0.54) CYP11B2CYP11B1CYP2A6ATMSLC2A1
SCHEMBL25002964 0.81 CYP11B2 (0.63) CYP11B2CYP11B1CYP2A6ATMCYP1A2
SCHEMBL10093458 0.81 ATM (0.59) CYP11B2CYP11B1CYP2A6ATMSLC2A1
SCHEMBL4432846 0.81 CYP11B1 (0.63) CYP11B2CYP11B1CYP2A6ATMCYP1A2
SCHEMBL13830583 0.80 TDP1 (0.57) SLC2A1MEN1POLBKMT2AALDH1A1
SCHEMBL2906199 0.80 CYP11B1 (0.62) CYP11B2CYP11B1CYP2A6ATMCYP1A2
SCHEMBL4592444 0.80 CYP11B1 (0.62) CYP11B2CYP11B1CYP2A6ATMXDH
SCHEMBL5326283 0.80 CYP11B1 (0.79) CYP11B2CYP11B1CYP2A6ATMCYP1A2

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 CYP11B2 60/4885CYP11B1 107/4885CYP2A6 270/4885
US-20120214788-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 CYP11B2 60/4885CYP11B1 107/4885CYP2A6 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.