SCHEMBL5289725

SCHEMBL5289725

Cc1nc2cc(NC(=O)c3ccc(C#CC(C)(C)C)cc3)ccc2s1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.72
LMNA P02545 1/20 0.59
RAB9A P51151 7/20 0.54
NPC1 O15118 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
MAPT P10636 2/20 0.53
POLB P06746 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL5909400 0.90 TRPV1 (0.67) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL3584440 0.89 TRPV1 (0.59) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL3586462 0.85 TRPV1 (0.56) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL3577539 0.85 TRPV1 (0.54) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL3582901 0.84 TRPV1 (0.56) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL5781677 0.84 TRPV1 (1.00) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL14985573 0.82 TRPV1 (0.79) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL13763263 0.81 TRPV1 (0.80) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL5781407 0.80 TRPV1 (0.76) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL5783405 0.80 TRPV1 (0.76) TRPV1LMNARAB9ANPC1SMN1; SMN2

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 1/4885LMNA 2504/4885RAB9A 2274/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 TRPV1 1/4885LMNA 2504/4885RAB9A 2274/4885

“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.