SCHEMBL5133449

SCHEMBL5133449

N#Cc1ccc([C@H]2CCCn3cncc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.48
CYP11B2 P19099 8/20 0.48
CYP11B1 P15538 7/20 0.48
KCNH2 Q12809 2/20 0.48
CYP17A1 P05093 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL5571001 1.00 CYP19A1 (0.48) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
SCHEMBL5048062 1.00 CYP19A1 (0.48) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
SCHEMBL1180028 0.91 CYP19A1 (0.49) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
SCHEMBL5569832 0.84 DRD2 (0.48) CYP11B2CYP11B1CYP17A1HRH3
SCHEMBL5572854 0.82 CYP19A1 (0.43) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
SCHEMBL5573400 0.82 CYP17A1 (0.42) CYP17A1
SCHEMBL5573376 0.82 CYP17A1 (0.42) CYP11B2CYP17A1
SCHEMBL27285097 0.82 CYP17A1 (0.42) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
SCHEMBL5573406 0.82 CYP17A1 (0.44) CYP19A1CYP17A1
SCHEMBL27285101 0.82 CYP17A1 (0.42) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076784-A1 Bicyclic, Nitrogen-Containing Heterocycles and Aromatase Inhibitors NOVARTIS AG (CH) 2008-03-27 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-20080076784-A1 Bicyclic, Nitrogen-Containing Heterocycles and Aromatase Inhibitors CYP19A1, NR5A1, HSD17B11 CYP19A1 1/4885CYP11B2 6/4885CYP11B1 5/4885

“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.