SCHEMBL1180966

SCHEMBL1180966

CC1CCn2cncc2C1c1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.45
CYP11B2 P19099 8/20 0.43
CYP11B1 P15538 7/20 0.43
KCNH2 Q12809 2/20 0.43
CYP17A1 P05093 1/20 0.37
HRH3 Q9Y5N1 4/20 0.36
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL12871218 1.00 CYP19A1 (0.45) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
SCHEMBL12871217 1.00 CYP19A1 (0.45) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
SCHEMBL8236808 1.00 CYP19A1 (0.45) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
SCHEMBL12313924 1.00 CYP19A1 (0.45) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
SCHEMBL1180028 0.80 CYP19A1 (0.49) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
SCHEMBL5133449 0.75 CYP19A1 (0.48) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
SCHEMBL5571001 0.75 CYP19A1 (0.48) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
SCHEMBL5048062 0.75 CYP19A1 (0.48) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
SCHEMBL1180397 0.73 CYP19A1 (0.42) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL2916227 0.72 CYP19A1 (0.44) CYP19A1CYP11B2CYP11B1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263615-B2 Bis-heterocyclic imidazolyl compounds NOVARTIS AG (CH) 2012-09-11 US disclosed
US-20110028512-A1 BIS-HETEROCYCLIC IMIDAZOLYL COMPOUNDS HEROLD PETER 2011-02-03 US 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-20110028512-A1 BIS-HETEROCYCLIC IMIDAZOLYL COMPOUNDS CYP11B1, CYP11B2, REN CYP19A1 43/4885CYP11B2 2/4885CYP11B1 1/4885

“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.