SCHEMBL3974966

SCHEMBL3974966

O=C1C(C2CCC2)n2cncc2CCN1Cc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.40
CYP11B1 P15538 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRIN2B Q13224 1/20 0.39
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.36

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
SCHEMBL3983165 0.89 CYP11B2 (0.45) CYP11B2CYP11B1KCNH2GRIN2BCYP19A1
SCHEMBL3976515 0.88 FNTA (0.41) ALDH1A1RAB9A
SCHEMBL3978284 0.87 CYP11B2 (0.45) CYP11B2CYP11B1ALDH1A1POLB
SCHEMBL3977623 0.86 CYP11B2 (0.50) CYP11B2CYP11B1KCNH2CYP19A1
SCHEMBL3982940 0.84 CYP11B2 (0.47) CYP11B2CYP11B1KCNH2GRIN2BALDH1A1
SCHEMBL3976754 0.79 CYP11B2 (0.47) CYP11B2CYP11B1KCNH2GRIN2BALDH1A1
SCHEMBL4251559 0.77 CYP11B2 (0.40) CYP11B2CYP11B1KCNH2GRIN2BALDH1A1
SCHEMBL4501766 0.76 CYP11B1 (0.44) CYP11B2CYP11B1CYP19A1
SCHEMBL3983211 0.74 CYP11B1 (0.47) CYP11B2CYP11B1
SCHEMBL3465695 0.74 CYP11B2 (0.41) CYP11B2CYP11B1ALDH1A1

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
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
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 2/4885KCNH2 1381/4885

“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.