SCHEMBL10219853

SCHEMBL10219853

CC(c1ccc(-c2ccccc2)nc1)c1cnco1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 14/20 0.49
CYP11B2 P19099 14/20 0.49
FFAR1 O14842 1/20 0.41
DHFR P00374 1/20 0.40
CYP3A4 P08684 1/20 0.39
LDHA P00338 1/20 0.37
ROCK2 O75116 1/20 0.36
IDH1 O75874 1/20 0.36

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
SCHEMBL10219781 0.83 CYP11B1 (0.50) CYP11B1CYP11B2FFAR1DHFRCYP3A4
SCHEMBL10219813 0.81 CYP11B1 (0.56) CYP11B1CYP11B2FFAR1LDHAIDH1
SCHEMBL19381899 0.79 KMT2A (0.37) CYP11B1CYP11B2ROCK2
SCHEMBL10219780 0.79 CYP11B1 (0.51) CYP11B1CYP11B2FFAR1IDH1
SCHEMBL10219810 0.77 CYP11B1 (0.54) CYP11B1CYP11B2FFAR1DHFRCYP3A4
SCHEMBL10219785 0.77 CYP11B1 (0.56) CYP11B1CYP11B2FFAR1DHFRCYP3A4
SCHEMBL10219774 0.76 CYP11B1 (0.55) CYP11B1CYP11B2FFAR1CYP3A4
SCHEMBL1688799 0.76 CYP11B1 (0.56) CYP11B1CYP11B2FFAR1DHFRCYP3A4
Hydrochloric Acid SCHEMBL28149657 0.74 CYP11B1 (0.55) CYP11B1CYP11B2FFAR1DHFRCYP3A4
SCHEMBL25456041 0.73 CYP11B1 (0.54) CYP11B1CYP11B2FFAR1DHFRCYP3A4

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.