SCHEMBL3590784

SCHEMBL3590784

Cc1cc2c(NC(=O)c3ccc(C=CC(F)(F)F)cc3C)cccc2cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.41
CYP2D6 P10635 6/20 0.40
CYP3A4 P08684 3/20 0.40
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL3590782 1.00 TRPV1 (0.41) TRPV1CYP2D6CYP3A4KMT2AMEN1
SCHEMBL5909412 0.89 TRPV1 (0.45) TRPV1CYP2D6CYP3A4KMT2ANPC1
SCHEMBL5909411 0.89 TRPV1 (0.45) TRPV1CYP2D6CYP3A4KMT2ANPC1
SCHEMBL3585077 0.86 TRPV1 (0.50) TRPV1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3585073 0.86 TRPV1 (0.50) TRPV1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL13544228 0.86 ALDH1A1 (0.52) CYP2D6CYP3A4KMT2AMEN1NPC1
SCHEMBL13544310 0.85 KMT2A (0.46) TRPV1KMT2AMEN1NPC1ALDH1A1
SCHEMBL3594481 0.84 TRPV1 (0.49) TRPV1KMT2AMEN1NPC1ALDH1A1
SCHEMBL3594479 0.84 TRPV1 (0.49) TRPV1KMT2AMEN1NPC1ALDH1A1
SCHEMBL3588779 0.82 KDR (0.56) KMT2AMEN1NPC1ALDH1A1TP53

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 6 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
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
EP-1853269-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-11-14 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
WO-2006093832-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-08 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 1/4885CYP2D6 2568/4885CYP3A4 2021/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 TRPV1 1/4885CYP2D6 3016/4885CYP3A4 2407/4885

“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.