SCHEMBL4086389

SCHEMBL4086389

CC(C)(C1CC1)C1C(=O)N(Cc2ccc(C#N)cc2)Cc2cncn21

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.59
CYP11B1 P15538 5/20 0.59
FNTA P49354 11/20 0.41
FNTB P49356 11/20 0.41
PGGT1B P53609 7/20 0.41
KCNH2 Q12809 4/20 0.41
CYP19A1 P11511 7/20 0.40

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
SCHEMBL4512559 0.90 CYP11B2 (0.63) CYP11B2CYP11B1FNTAFNTBPGGT1B
SCHEMBL4082087 0.87 CYP11B2 (0.60) CYP11B2CYP11B1FNTAFNTBPGGT1B
SCHEMBL3979552 0.87 CYP11B2 (0.45) CYP11B2CYP11B1
SCHEMBL3979124 0.80 CYP11B1 (0.64) CYP11B2CYP11B1FNTAFNTBPGGT1B
SCHEMBL3576859 0.77 CYP11B1 (0.81) CYP11B2CYP11B1FNTAFNTBPGGT1B
SCHEMBL3979450 0.76 CYP11B1 (0.47) CYP11B2CYP11B1FNTAFNTBPGGT1B
SCHEMBL3567225 0.76 CYP11B1 (0.83) CYP11B2CYP11B1FNTAFNTBPGGT1B
SCHEMBL3979748 0.76 CYP11B2 (0.48) CYP11B2CYP11B1
Hydrochloric Acid SCHEMBL3578533 0.75 CYP11B1 (0.81) CYP11B2CYP11B1FNTAFNTBPGGT1B
SCHEMBL3572973 0.75 CYP11B1 (0.81) CYP11B2CYP11B1FNTAFNTBPGGT1B

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
US-20090264420-A1 ORGANIC COMPOUNDS KSANDER GARY MICHAEL 2009-10-22 US disclosed
US-20090264420-A1 ORGANIC COMPOUNDS KSANDER GARY MICHAEL 2009-10-22 US disclosed
US-20090264420-A1 ORGANIC COMPOUNDS KSANDER GARY MICHAEL 2009-10-22 US disclosed
CN-101506216-A Fused imidazole derivatives for the treatment of disorders mediated by aldosterone synthase and/or 11-beta-hydroxylase and/or aromatase NOVARTIS AG (CH) 2009-08-12 CN disclosed
EP-2057163-A1 FUSED IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY ALDOSTERONE SYNTHASE AND/OR 11-BETA-HYDROXYLASE AND/OR AROMATASE Novartis AG (CH) 2009-05-13 EP disclosed
WO-2008027284-A1 FUSED IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY ALDOSTERONE SYNTHASE AND/OR 11-BETA-HYDROXYLASE AND/OR AROMATASE NOVARTIS AG (CH) 2008-03-06 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-20090264420-A1 ORGANIC COMPOUNDS CYP17A1, CYP11B1, CYP46A1 CYP11B2 11/4885CYP11B1 2/4885FNTA 1865/4885

“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.