SCHEMBL3590895

SCHEMBL3590895

Cc1cc(C=CC(F)(F)F)ccc1C(=O)Nc1ccc2cc(CO)cnc2c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.43
MCHR1 Q99705 9/20 0.42
HTR2C P28335 6/20 0.42
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LRRK2 Q5S007 1/20 0.37
MTTP P55157 1/20 0.37
SMO Q99835 1/20 0.37
KDR P35968 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
SCHEMBL3590891 1.00 TRPV1 (0.43) TRPV1MCHR1HTR2CNPC1RAB9A
SCHEMBL5037416 0.93 MCHR1 (0.41) TRPV1MCHR1HTR2CNPC1RAB9A
SCHEMBL5037419 0.93 MCHR1 (0.41) TRPV1MCHR1HTR2CNPC1RAB9A
SCHEMBL13544279 0.93 MCHR1 (0.42) TRPV1MCHR1HTR2CNPC1RAB9A
SCHEMBL3586815 0.90 TRPV1 (0.39) TRPV1NPC1RAB9ALRRK2KDR
SCHEMBL3586822 0.90 TRPV1 (0.39) TRPV1NPC1RAB9ALRRK2KDR
SCHEMBL5037289 0.89 MCHR1 (0.40) TRPV1MCHR1HTR2CNPC1RAB9A
SCHEMBL5034669 0.89 KDR (0.42) TRPV1NPC1RAB9AKDR
SCHEMBL5034665 0.89 KDR (0.42) TRPV1NPC1RAB9AKDR
SCHEMBL3588305 0.89 MCHR1 (0.38) TRPV1MCHR1HTR2CNPC1RAB9A

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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US claimed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US claimed
EP-1954132-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2008-08-13 EP claimed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO claimed
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-08-31 US claimed

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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 TRPV1 1/4885MCHR1 4525/4885HTR2C 1903/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 TRPV1 1/4885MCHR1 4541/4885HTR2C 1833/4885

“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.