SCHEMBL10219812

SCHEMBL10219812

c1ccc(-c2ccc(C(C3CC3)n3cnnc3)cn2)cc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 0.73
CYP11B2 P19099 11/20 0.73
CYP17A1 P05093 1/20 0.43
CHRNB2 P17787 3/20 0.37
CHRNA7 P36544 2/20 0.37
CHRNA4 P43681 2/20 0.37
FFAR1 O14842 1/20 0.37
LDHA P00338 1/20 0.36
CHRNA3 P32297 1/20 0.35

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
SCHEMBL15761427 0.95 CYP11B1 (0.66) CYP11B1CYP11B2CYP17A1CHRNB2CHRNA7
SCHEMBL2715863 0.84 CYP11B1 (1.00) CYP11B1CYP11B2CYP17A1
SCHEMBL15761426 0.80 CYP11B1 (0.91) CYP11B1CYP11B2CYP17A1
SCHEMBL15761425 0.79 CYP11B1 (0.60) CYP11B1CYP11B2CYP17A1CHRNB2CHRNA7
SCHEMBL10219778 0.77 CYP11B1 (0.70) CYP11B1CYP11B2CYP17A1CHRNB2CHRNA7
SCHEMBL30447276 0.76 CYP11B1 (0.56) CYP11B1CYP11B2CHRNB2CHRNA7CHRNA4
SCHEMBL20023718 0.76 CYP11B1 (0.56) CYP11B1CYP11B2CHRNB2CHRNA7CHRNA4
SCHEMBL2716454 0.75 CYP11B1 (0.54) CYP11B1CYP11B2CHRNB2CHRNA7CHRNA4
SCHEMBL10219772 0.75 CYP11B1 (0.55) CYP11B1CYP11B2CYP17A1FFAR1
SCHEMBL15761428 0.73 CYP11B1 (0.72) CYP11B1CYP11B2CYP17A1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394290-B2 Selective CYP11B1 inhibitors for the treatment of cortisol dependent diseases UNIVERSITAET DES SAARLANDES CAMPUS SAARBRUECKEN (DE) 2016-07-19 US disclosed
US-9394290-B2 Selective CYP11B1 inhibitors for the treatment of cortisol dependent diseases UNIVERSITAET DES SAARLANDES CAMPUS SAARBRUECKEN (DE) 2016-07-19 US disclosed
US-20140155407-A1 SELECTIVE CYP11B1 INHIBITORS FOR THE TREATMENT OF CORTISOL DEPENDENT DISEASES UNIVERSITAET DES SAARLANDES (DE) 2014-06-05 US disclosed
US-20140155407-A1 SELECTIVE CYP11B1 INHIBITORS FOR THE TREATMENT OF CORTISOL DEPENDENT DISEASES UNIVERSITAET DES SAARLANDES (DE) 2014-06-05 US disclosed
WO-2012052540-A1 SELECTIVE CYP11B1 INHIBITORS FOR THE TREATMENT OF CORTISOL DEPENDENT DISEASES UNIVERSITAET DES SAARLANDES (DE) 2012-04-26 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 (1 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-20140155407-A1 SELECTIVE CYP11B1 INHIBITORS FOR THE TREATMENT OF CORTISOL DEPENDENT DISEASES HSD11B1, CYP11B1, HSD11B2 CYP11B1 2/4885CYP11B2 4/4885CYP17A1 13/4885

“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.