SCHEMBL5289441

SCHEMBL5289441

CC(C)(C)C#Cc1ccc(C(=O)Nc2cccc3cnccc23)c(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.49
NPY5R Q15761 1/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
CASP3 P42574 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42

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
SCHEMBL3583759 0.83 TRPV1 (0.48) TRPV1NPY5R
SCHEMBL13763267 0.82 TRPV1 (0.53) TRPV1NPY5RHTTMEN1MAPK1
SCHEMBL5909471 0.82 TRPV1 (0.53) TRPV1HTTMEN1MAPK1BLM
SCHEMBL3592435 0.80 TRPV1 (0.49) TRPV1NPY5RMEN1KMT2AKDM4E
SCHEMBL3595197 0.79 PKM (0.48) TRPV1NPY5RKDM4EALDH1A1MAPT
SCHEMBL5308093 0.78 TRPV1 (0.49) TRPV1NPY5RHTTMEN1MAPK1
SCHEMBL5909490 0.78 TRPV1 (0.59) TRPV1HTTMEN1MAPK1BLM
SCHEMBL3582630 0.76 TRPV1 (0.43) TRPV1NPY5RKDM4EALDH1A1LMNA
SCHEMBL13544672 0.75 TRPV1 (0.58) TRPV1NPY5R
SCHEMBL3582240 0.75 TRPV1 (0.48) TRPV1NPY5RHTTMEN1MAPK1

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-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-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 (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-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 TRPV1 1/4885NPY5R 1000/4885HTT 3330/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 TRPV1 1/4885NPY5R 1000/4885HTT 3330/4885

“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.