SCHEMBL3581729

SCHEMBL3581729

CC(C)(C)C#Cc1ccc(C(=O)Nc2cnc3ccccc3c2)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.56
TMPRSS4 Q9NRS4 1/20 0.53
TRPV1 Q8NER1 1/20 0.53
CNR2 P34972 2/20 0.49
CNR1 P21554 1/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
KDM4E B2RXH2 3/20 0.49
MITF O75030 1/20 0.49
XBP1 P17861 1/20 0.49
PAX8 Q06710 1/20 0.49
KLF5 Q13887 1/20 0.49
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
CASP1 P29466 1/20 0.46

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
SCHEMBL3582343 0.89 KDR (0.57) KDRTMPRSS4TRPV1NPC1RAB9A
SCHEMBL3595803 0.88 TRPV1 (0.53) KDRTMPRSS4TRPV1CNR2CNR1
SCHEMBL5909498 0.84 TRPV1 (0.71) KDRTRPV1NPC1RAB9AKDM4E
SCHEMBL13544521 0.82 TRPV1 (0.71) KDRTMPRSS4TRPV1CNR2CNR1
SCHEMBL3596489 0.79 TRPV1 (0.55) KDRTRPV1CNR2CNR1NPC1
SCHEMBL846608 0.78 KDR (0.65) KDRTMPRSS4TRPV1NPC1RAB9A
SCHEMBL846865 0.77 KDR (0.62) KDRTMPRSS4TRPV1NPC1RAB9A
SCHEMBL13544243 0.77 PTGES (0.51) CNR2CNR1NPC1RAB9AALDH1A1
SCHEMBL5909530 0.76 TRPV1 (0.65) KDRTRPV1NPC1RAB9AKDM4E
SCHEMBL846029 0.75 KDR (0.61) KDRTMPRSS4TRPV1NPC1RAB9A

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-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-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-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
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 disclosed
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 disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 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 (3 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 KDR 2563/4885TMPRSS4 1784/4885TRPV1 1/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 KDR 2423/4885TMPRSS4 1584/4885TRPV1 1/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 KDR 2423/4885TMPRSS4 1584/4885TRPV1 1/4885

“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.