SCHEMBL3385261

SCHEMBL3385261

c1cc2cc(C3CCCc4cncn43)ccc2cn1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 16/20 0.60
CYP11B2 P19099 7/20 0.56
CYP11B1 P15538 3/20 0.56
KCNH2 Q12809 1/20 0.56

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
SCHEMBL2353249 0.87 CYP19A1 (0.63) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL2351179 0.81 CYP19A1 (0.73) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL8845131 0.77 CYP19A1 (0.63) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL1041969 0.76 CYP19A1 (0.76) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL2354499 0.75 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL1041273 0.75 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL2142550 0.75 CYP19A1 (0.74) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL1912921 0.75 CYP19A1 (0.74) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL14769100 0.75 CYP19A1 (0.73) CYP19A1CYP11B2CYP11B1KCNH2
Hydrochloric Acid SCHEMBL9260352 0.74 CYP19A1 (1.00) 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
EP-1748986-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-12-01 EP disclosed
US-20080076794-A1 Hyperaldosteronism 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-20080076794-A1 Hyperaldosteronism REN, NR3C2, CYP11B2 CYP19A1 122/4885CYP11B2 3/4885CYP11B1 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.