SCHEMBL3387196

SCHEMBL3387196

C[Si](C)(C)c1ccc(CNCCc2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.49
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CNR1 P21554 1/20 0.47
SCN8A Q9UQD0 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
RAF1 P04049 1/20 0.43
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
USP28 Q96RU2 1/20 0.42
USP25 Q9UHP3 1/20 0.42
DAO P14920 1/20 0.42
POLB P06746 1/20 0.41
LTA4H P09960 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
SCHEMBL3272263 0.85 KDM4E (0.50) BCHECHRM2CHRM1CHRM3KDM4E
SCHEMBL3581270 0.85 BCHE (0.52) BCHECHRM2CHRM1CHRM3KDM4E
SCHEMBL9957662 0.84 CNR1 (0.49) BCHECHRM2CHRM1CHRM3KDM4E
SCHEMBL5175871 0.82 BCHE (0.49) BCHECHRM2CHRM1CHRM3KDM4E
SCHEMBL3584103 0.82 KDM4E (0.47) BCHECHRM2CHRM1CHRM3KDM4E
SCHEMBL3386391 0.81 ROCK1 (0.60) KDM4EMEN1KMT2ACNR1SCN8A
SCHEMBL3917296 0.81 ROCK1 (0.60) KDM4EMEN1KMT2ACNR1SCN8A
SCHEMBL5176588 0.81 CNR1 (0.46) BCHECHRM2CHRM1CHRM3KDM4E
SCHEMBL5227133 0.80 CETP (0.50) BCHECHRM2CHRM1CHRM3KDM4E
SCHEMBL3391028 0.79 TRPV1 (0.65) CNR1RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101378763-B Trialkylsilylbenzylaminocarboxyindoles, indazoles and indolines and their use in treating CETP-mediated disorders HOFFMANN LA ROCHE 2013-05-22 CN claimed
CN-101378763-B Trialkylsilylbenzylaminocarboxyindoles, indazoles and indolines and their use in treating CETP-mediated disorders HOFFMANN LA ROCHE 2013-05-22 CN disclosed
EP-1984322-B1 BENZAMIDE AND HETEROARENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-09-26 EP disclosed
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
CN-101378763-A Trialkylsilylbenzylaminocarboxyindoles, indazoles and indolines and their use in treating CETP-mediated disorders HOFFMANN LA ROCHE (CH) 2009-03-04 CN 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 BCHE 2463/4885CHRM2 768/4885CHRM1 1417/4885

“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.