SCHEMBL17836987

SCHEMBL17836987

N#Cc1ccc([C@H]2CCc3cncn32)cc1F

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.64
CYP11B2 P19099 10/20 0.60
CYP11B1 P15538 6/20 0.60
KCNH2 Q12809 2/20 0.60
CYP17A1 P05093 1/20 0.60
HRH1 P35367 1/20 0.60

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
SCHEMBL17836988 1.00 CYP19A1 (0.64) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
SCHEMBL1041382 0.86 CYP19A1 (0.66) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
SCHEMBL1041205 0.85 CYP19A1 (0.64) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
SCHEMBL1039735 0.84 CYP11B2 (0.58) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
SCHEMBL1040981 0.82 CYP11B2 (0.62) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
SCHEMBL1041670 0.82 CYP19A1 (0.60) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
SCHEMBL1041342 0.82 CYP19A1 (0.60) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
SCHEMBL27861938 0.82 CYP11B2 (0.62) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
SCHEMBL732525 0.82 CYP11B2 (0.43) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
SCHEMBL1041691 0.81 CYP19A1 (0.59) 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-20160176883-A1 Forms and salts of a dihydropyrrolo[1,2c]imidazolyl aldosterone synthase or aromatase inhibitor NOVARTIS AG (CH) 2016-06-23 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-20160176883-A1 Forms and salts of a dihydropyrrolo[1,2c]imidazolyl aldosterone synthase or aromatase inhibitor CYP21A2, CYP19A1, NR5A1 CYP19A1 2/4885CYP11B2 15/4885CYP11B1 8/4885

“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.