SCHEMBL10219815

SCHEMBL10219815

c1ccc(-c2ccc(C(c3cccnc3)C3CC3)cn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 0.58
CYP11B2 P19099 12/20 0.58
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
CFTR P13569 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GOPC Q9HD26 1/20 0.42
CYP2A6 P11509 2/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNA5 P22460 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL10219784 0.95 CYP11B1 (0.53) CYP11B1CYP11B2SLC6A2SLC6A4CFTR
SCHEMBL10219777 0.87 CYP11B1 (0.56) CYP11B1CYP11B2
SCHEMBL10219816 0.87 CYP11B1 (0.60) CYP11B1CYP11B2
SCHEMBL10219774 0.82 CYP11B1 (0.55) CYP11B1CYP11B2SLC6A2SLC6A4CFTR
SCHEMBL10219788 0.82 CYP11B2 (0.54) CYP11B1CYP11B2
SCHEMBL10219817 0.82 CYP11B1 (0.51) CYP11B1CYP11B2
SCHEMBL10219813 0.78 CYP11B1 (0.56) CYP11B1CYP11B2
SCHEMBL10219782 0.77 CYP11B1 (0.52) CYP11B1CYP11B2
SCHEMBL15763290 0.77 CYP11B1 (0.52) CYP11B1CYP11B2CYP3A4KCNH2
SCHEMBL10219854 0.77 CYP11B1 (0.56) CYP11B1CYP11B2SLC6A2SLC6A4CFTR

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 4/4885SLC6A2 380/4885

“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.