SCHEMBL13763500

SCHEMBL13763500

CC(C)(C)c1ncc(C(=O)Nc2ccc3c(c2)OCCN3)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.55
RAB9A P51151 13/20 0.46
SMN1; SMN2 Q16637 8/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 13/20 0.45
TP53 P04637 6/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 4/20 0.44
GAA P10253 1/20 0.44
PIR O00625 1/20 0.43
GSK3B P49841 1/20 0.43
HSF1 Q00613 1/20 0.43
QPCT Q16769 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
GLA P06280 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL13757254 0.85 TRPV1 (0.48) TRPV1RAB9ASMN1; SMN2HSD17B10NPC1
SCHEMBL13996052 0.77 TRPV1 (0.56) TRPV1RAB9ASMN1; SMN2HSD17B10NPC1
SCHEMBL3584425 0.77 TRPV1 (0.53) TRPV1RAB9ASMN1; SMN2HSD17B10NPC1
SCHEMBL3584417 0.77 TRPV1 (0.53) TRPV1RAB9ASMN1; SMN2HSD17B10NPC1
SCHEMBL3584422 0.77 TRPV1 (0.53) TRPV1RAB9ASMN1; SMN2HSD17B10NPC1
SCHEMBL13544352 0.74 TRPV1 (0.61) TRPV1RAB9ASMN1; SMN2NPC1TP53
SCHEMBL13544376 0.74 TRPV1 (0.61) TRPV1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL13757251 0.74 TRPV1 (0.55) TRPV1RAB9ASMN1; SMN2HSD17B10NPC1
SCHEMBL13757210 0.73 TRPV1 (0.59) TRPV1RAB9ASMN1; SMN2HSD17B10NPC1
SCHEMBL13544489 0.73 TRPV1 (0.59) TRPV1RAB9ASMN1; SMN2NPC1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 TRPV1 1/4885RAB9A 2274/4885SMN1; SMN2 2392/4885

“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.