SCHEMBL4082693

SCHEMBL4082693

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.56
CYP11B1 P15538 6/20 0.56
CYP3A4 P08684 4/20 0.56
RORC P51449 8/20 0.40
MAPK1 P28482 1/20 0.37
P2RX3 P56373 1/20 0.37
TACR1 P25103 2/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 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
SCHEMBL3975895 0.88 CYP11B2 (0.53) CYP11B2CYP11B1CYP3A4
SCHEMBL4088218 0.88 CYP11B1 (0.47) CYP11B2CYP11B1CYP3A4RORC
SCHEMBL3977621 0.86 CYP11B1 (0.53) CYP11B2CYP11B1CYP3A4PSEN1PSEN2
SCHEMBL3975074 0.85 CYP11B2 (0.45) CYP11B2CYP11B1CYP3A4
SCHEMBL8219463 0.85 CYP11B2 (0.45) CYP11B2CYP11B1CYP3A4
SCHEMBL3981958 0.85 CYP11B2 (0.57) CYP11B2CYP11B1CYP3A4
SCHEMBL3977142 0.83 CYP11B2 (0.41) CYP11B2CYP11B1CYP3A4MAPK1
SCHEMBL3976120 0.82 CYP11B2 (0.42) CYP11B2CYP11B1CYP3A4MAPK1
SCHEMBL3980433 0.80 CYP11B1 (0.41) CYP11B2CYP11B1CYP3A4
SCHEMBL4094875 0.80 CYP11B2 (0.45) CYP11B2CYP11B1CYP3A4

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.