SCHEMBL10219854

SCHEMBL10219854

CCC(c1cccnc1)c1ccc(-c2ccccc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 0.56
CYP11B2 P19099 11/20 0.56
KCNA5 P22460 3/20 0.48
KCNH2 Q12809 2/20 0.48
CYP2A6 P11509 2/20 0.46
CYP3A4 P08684 2/20 0.46
CFTR P13569 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
GOPC Q9HD26 1/20 0.45
FFAR1 O14842 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL10219790 0.87 CYP11B1 (0.55) CYP11B1CYP11B2CYP3A4FFAR1
SCHEMBL10219775 0.87 CYP11B1 (0.56) CYP11B1CYP11B2CYP3A4FFAR1
SCHEMBL10219774 0.85 CYP11B1 (0.55) CYP11B1CYP11B2KCNA5KCNH2CYP2A6
SCHEMBL1944201 0.82 CFTR (0.59) KCNA5KCNH2CFTRSLC6A2SLC6A4
SCHEMBL658876 0.82 CFTR (0.57) KCNA5KCNH2CFTRSLC6A2SLC6A4
Ammonia Solution, Strong SCHEMBL5999698 0.81 CFTR (0.57) KCNA5KCNH2CFTRSLC6A2SLC6A4
SCHEMBL11742169 0.79 CYP2A6 (0.47) KCNA5KCNH2CYP2A6CFTRSLC6A2
SCHEMBL18729692 0.78 CYP11B1 (0.56) CYP11B1CYP11B2CYP3A4FFAR1
SCHEMBL19513576 0.78 CYP2A6 (0.55) CYP11B1CYP11B2CYP2A6CYP3A4SMN1; SMN2
SCHEMBL10219815 0.77 CYP11B1 (0.58) CYP11B1CYP11B2KCNA5KCNH2CYP2A6

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 4/4885KCNA5 3917/4885

“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.