SCHEMBL3391028

SCHEMBL3391028

C[Si](C)(C)c1ccc(C(=O)NCCc2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.65
NAMPT P43490 1/20 0.58
MAPK14 Q16539 1/20 0.57
ROCK2 O75116 1/20 0.57
ROCK1 Q13464 1/20 0.57
CNR1 P21554 1/20 0.54
RAB9A P51151 1/20 0.54
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
CA14 Q9ULX7 3/20 0.53
RAF1 P04049 1/20 0.48

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
SCHEMBL3577619 0.87 TRPV1 (0.69) TRPV1NAMPTMAPK14ROCK2ROCK1
SCHEMBL3386390 0.82 NAMPT (0.59) TRPV1NAMPTMAPK14ROCK2ROCK1
SCHEMBL3576445 0.81 NAMPT (0.68) TRPV1NAMPTMAPK14ROCK2ROCK1
SCHEMBL3387196 0.79 BCHE (0.49) CNR1RAF1
SCHEMBL27422506 0.78 CNR1 (0.67) TRPV1NAMPTMAPK14ROCK2ROCK1
SCHEMBL7643257 0.78 CNR1 (0.63) TRPV1NAMPTMAPK14ROCK2ROCK1
SCHEMBL7880446 0.78 TRPV1 (0.73) TRPV1RAB9A
SCHEMBL14266549 0.77 TRPV1 (0.59) TRPV1NAMPTMAPK14ROCK2ROCK1
SCHEMBL5563990 0.76 CNR1 (0.53) TRPV1NAMPTMAPK14ROCK2ROCK1
SCHEMBL6989302 0.76 CNR1 (0.58) TRPV1MAPK14ROCK2ROCK1CNR1

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
EP-1984002-B1 TRIALKYLSILYLBENZYLAMINOCARBOXYINDOLES, INDAZOLES AND INDOLINES AND THEIR USE IN TREATING CETP-MEDIATED DISORDERS HOFFMANN LA ROCHE (CH) 2010-12-22 EP disclosed
US-7572823-B2 Heteroaryl carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
EP-1984002-A1 TRIALKYLSILYLBENZYLAMINOCARBOXYINDOLES, INDAZOLES AND INDOLINES AND THEIR USE IN TREATING CETP-MEDIATED DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP disclosed
WO-2007090750-A1 TRIALKYLSILYLBENZYLAMINOCARBOXYINDOLES, INDAZOLES AND INDOLINES AND THEIR USE IN TREATING CETP-MEDIATED DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
US-20070185182-A1 Heteroaryl carboxamide compounds HOFFMAN-LA ROCHE INC. 2007-08-09 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 (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-20070185182-A1 Heteroaryl carboxamide compounds ABCB1, ABCG2, CYP3A43 TRPV1 228/4885NAMPT 742/4885MAPK14 3825/4885

“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.