SCHEMBL3591672

SCHEMBL3591672

COc1cc(C=CC(F)(F)F)ccc1C(=O)Nc1ccc2c(c1)OCCN2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.50
NPC1 O15118 11/20 0.48
RAB9A P51151 10/20 0.48
MAPT P10636 6/20 0.48
TP53 P04637 5/20 0.48
TSHR P16473 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CREBBP Q92793 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL3591670 1.00 TRPV1 (0.50) TRPV1NPC1RAB9AMAPTTP53
SCHEMBL3595361 1.00 TRPV1 (0.50) TRPV1NPC1RAB9AMAPTTP53
SCHEMBL3587851 0.88 TRPV1 (0.52) TRPV1NPC1RAB9AMAPTTP53
SCHEMBL3587856 0.88 TRPV1 (0.52) TRPV1NPC1RAB9AMAPTTP53
SCHEMBL3589689 0.88 TRPV1 (0.50) TRPV1NPC1RAB9AMAPTTP53
SCHEMBL3589685 0.88 TRPV1 (0.50) TRPV1NPC1RAB9AMAPTTP53
SCHEMBL3597396 0.88 NPC1 (0.62) TRPV1NPC1RAB9AMAPTTP53
SCHEMBL3596544 0.88 NPC1 (0.62) TRPV1NPC1RAB9AMAPTTP53
SCHEMBL3596550 0.88 NPC1 (0.62) TRPV1NPC1RAB9AMAPTTP53
SCHEMBL3589982 0.87 TRPV1 (0.51) TRPV1NPC1RAB9AMAPTTP53

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 1 patent. 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

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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 TRPV1 1/4885NPC1 879/4885RAB9A 2452/4885

“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.