SCHEMBL3979552

SCHEMBL3979552

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.45
CYP11B1 P15538 6/20 0.45
CYP3A4 P08684 4/20 0.37
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
HTT P42858 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MITF O75030 1/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL3979748 0.89 CYP11B2 (0.48) CYP11B2CYP11B1CYP3A4OPRM1OPRK1
SCHEMBL4086389 0.87 CYP11B2 (0.59) CYP11B2CYP11B1
SCHEMBL4503136 0.86 CYP11B2 (0.46) CYP11B2CYP11B1CYP3A4HTTRAB9A
SCHEMBL3974100 0.79 CYP11B2 (0.49) CYP11B2CYP11B1CYP3A4HTTRAB9A
SCHEMBL3982940 0.79 CYP11B2 (0.47) CYP11B2CYP11B1HTTALDH1A1POLB
SCHEMBL3979450 0.79 CYP11B1 (0.47) CYP11B2CYP11B1CYP3A4GRM2
SCHEMBL3975895 0.78 CYP11B2 (0.53) CYP11B2CYP11B1CYP3A4HTTRAB9A
SCHEMBL4093776 0.77 CYP11B1 (0.41) CYP11B2CYP11B1CYP3A4HTTALDH1A1
SCHEMBL3982570 0.77 CYP11B2 (0.41) CYP11B2CYP11B1CYP3A4
SCHEMBL3983165 0.77 CYP11B2 (0.45) CYP11B2CYP11B1HTTALDH1A1POLB

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 2/4885CYP3A4 147/4885

“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.