SCHEMBL10219813

SCHEMBL10219813

c1ccc(-c2ccc(C(c3cnco3)C3CC3)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 0.56
CYP11B2 P19099 12/20 0.56
FFAR1 O14842 1/20 0.36
IDH1 O75874 1/20 0.34
LDHA P00338 1/20 0.34
CYP17A1 P05093 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
HSD11B1 P28845 1/20 0.33

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
SCHEMBL10219780 0.95 CYP11B1 (0.51) CYP11B1CYP11B2FFAR1IDH1CYP17A1
SCHEMBL10219853 0.81 CYP11B1 (0.49) CYP11B1CYP11B2FFAR1IDH1LDHA
SCHEMBL10219777 0.80 CYP11B1 (0.56) CYP11B1CYP11B2FFAR1LDHACHRNB2
SCHEMBL10219816 0.80 CYP11B1 (0.60) CYP11B1CYP11B2FFAR1
SCHEMBL10219815 0.78 CYP11B1 (0.58) CYP11B1CYP11B2
SCHEMBL10219781 0.76 CYP11B1 (0.50) CYP11B1CYP11B2FFAR1LDHA
SCHEMBL15763290 0.75 CYP11B1 (0.52) CYP11B1CYP11B2FFAR1CHRNB2CHRNA3
SCHEMBL10219782 0.75 CYP11B1 (0.52) CYP11B1CYP11B2FFAR1LDHACHRNB2
SCHEMBL10219817 0.75 CYP11B1 (0.51) CYP11B1CYP11B2FFAR1LDHACYP17A1
SCHEMBL10219788 0.75 CYP11B2 (0.54) CYP11B1CYP11B2FFAR1CYP17A1

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 4/4885FFAR1 1451/4885

“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.