SCHEMBL3315683

SCHEMBL3315683

O=C1CCc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2N1Cc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.54
CYP11B2 P19099 7/20 0.54
CYP1A2 P05177 2/20 0.54
CHRM5 P08912 9/20 0.53
CYP17A1 P05093 1/20 0.47
CYP19A1 P11511 1/20 0.47
MAPT P10636 1/20 0.44
HDAC6 Q9UBN7 1/20 0.42
RIPK1 Q13546 1/20 0.41

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
SCHEMBL3307704 0.77 MAPT (0.53) CYP11B1CYP11B2CYP1A2CHRM5MAPT
SCHEMBL3308796 0.77 HDAC6 (0.46) CYP11B1CYP11B2CYP1A2CHRM5MAPT
SCHEMBL3308443 0.76 MAPT (0.59) CYP11B1CYP11B2CYP1A2CHRM5MAPT
SCHEMBL2097565 0.76 CHRM5 (0.52) CHRM5MAPTHDAC6
SCHEMBL3309131 0.75 MAPT (0.58) CYP11B1CYP11B2CYP1A2CHRM5MAPT
SCHEMBL2056195 0.75 CHRM5 (0.51) CHRM5MAPTHDAC6
SCHEMBL3310423 0.74 MAPT (0.50) CYP11B1CYP11B2CYP1A2CHRM5MAPT
SCHEMBL14481488 0.74 CHRM5 (0.42) CYP11B1CYP11B2CHRM5
SCHEMBL3466991 0.73 CYP11B1 (0.43) CYP11B1CYP11B2CYP1A2CHRM5MAPT
SCHEMBL40506 0.71 LMNA (0.61) CYP11B1CYP11B2CYP19A1MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664379-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-03-04 US claimed
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-18 US claimed
WO-2010074807-A1 3, 4-DIHYDROQUINOLIN-2 ( 1H ) -ONE DERIVATIVES AS SODIUM CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-07-01 WO claimed
US-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
US-8952007-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US disclosed
US-8664379-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-03-04 US disclosed
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-18 US disclosed
US-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US 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 (2 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-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNH3 CYP11B1 1655/4885CYP11B2 1716/4885CYP1A2 2073/4885
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E CYP11B1 1355/4885CYP11B2 1629/4885CYP1A2 1928/4885

“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.