SCHEMBL3380288

SCHEMBL3380288

c1ccc2c(C3CCCc4cncn43)coc2c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.58
CHRNB2 P17787 1/20 0.53
CHRNA4 P43681 1/20 0.53
CYP19A1 P11511 11/20 0.50
CYP11B1 P15538 3/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL2353252 0.79 CYP11B2 (0.64) CYP11B2CYP19A1CYP11B1KCNH2
SCHEMBL9687758 0.79 CYP11B2 (0.51) CYP11B2CYP19A1CYP11B1KCNH2
SCHEMBL3385021 0.76 CYP11B2 (0.57) CYP11B2CYP19A1CYP11B1KCNH2
SCHEMBL1039585 0.76 CYP11B2 (0.67) CYP11B2CYP19A1CYP11B1KCNH2
SCHEMBL1040360 0.75 CYP11B2 (0.70) CYP11B2CYP19A1CYP11B1KCNH2
SCHEMBL3381823 0.75 CYP11B2 (0.56) CYP11B2CYP19A1CYP11B1KCNH2
SCHEMBL14769100 0.75 CYP19A1 (0.73) CYP11B2CYP19A1CYP11B1KCNH2
SCHEMBL1040367 0.74 CYP11B2 (0.73) CYP11B2CYP19A1CYP11B1KCNH2
SCHEMBL1041438 0.74 CYP11B2 (1.00) CYP11B2CYP19A1CYP11B1KCNH2
SCHEMBL1041343 0.74 CYP11B2 (1.00) CYP11B2CYP19A1CYP11B1KCNH2

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 6 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
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
US-20080076794-A1 Hyperaldosteronism NOVARTIS AG (CH) 2008-03-27 US disclosed
US-20080076794-A1 Hyperaldosteronism NOVARTIS AG (CH) 2008-03-27 US disclosed
WO-2005118541-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2005-12-15 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-20080076794-A1 Hyperaldosteronism REN, NR3C2, CYP11B2 CYP11B2 3/4885CHRNB2 1133/4885CHRNA4 2164/4885

“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.