SCHEMBL3982940

SCHEMBL3982940

O=C1C(C2CC2)n2cncc2CN1Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.47
CYP11B1 P15538 2/20 0.47
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
KCNH2 Q12809 1/20 0.37
GRIN2B Q13224 1/20 0.37

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 0.95 CYP11B2 (0.45) CYP11B2CYP11B1HTTALDH1A1POLB
SCHEMBL3978284 0.95 CYP11B2 (0.45) CYP11B2CYP11B1HTTALDH1A1POLB
SCHEMBL3983211 0.89 CYP11B1 (0.47) CYP11B2CYP11B1
SCHEMBL4494516 0.87 CYP11B1 (0.41) CYP11B2CYP11B1ALDH1A1
SCHEMBL4089572 0.87 CYP11B2 (0.42) CYP11B2CYP11B1
SCHEMBL4084935 0.85 CYP11B1 (0.44) CYP11B2CYP11B1
SCHEMBL3979124 0.85 CYP11B1 (0.64) CYP11B2CYP11B1KCNH2
SCHEMBL3974966 0.84 CYP11B2 (0.40) CYP11B2CYP11B1ALDH1A1POLBKCNH2
SCHEMBL4501766 0.84 CYP11B1 (0.44) CYP11B2CYP11B1HTT
SCHEMBL3976865 0.82 CYP11B2 (0.43) CYP11B2CYP11B1

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 5 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

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 2/4885HTT 4632/4885

“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.