SCHEMBL13993370

SCHEMBL13993370

O=C(Nc1ccc2c(c1)OCCN2)c1ccc(C#CC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.48
RAB9A P51151 13/20 0.44
NPC1 O15118 13/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
PIR O00625 1/20 0.42
GSK3B P49841 1/20 0.42
HSF1 Q00613 1/20 0.42
PKM P14618 3/20 0.42
TP53 P04637 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
ROCK2 O75116 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL13757214 0.85 LMNA (0.46) TRPV1RAB9ANPC1NPSR1MEN1
SCHEMBL13757201 0.85 RAB9A (0.62) RAB9ANPC1SMN1; SMN2HSD17B10NPSR1
SCHEMBL13996052 0.85 TRPV1 (0.56) TRPV1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL13757269 0.82 HIF1A (0.47) TRPV1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL13757210 0.80 TRPV1 (0.59) TRPV1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL3584425 0.79 TRPV1 (0.53) TRPV1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL3584417 0.79 TRPV1 (0.53) TRPV1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL3584422 0.79 TRPV1 (0.53) TRPV1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL13757251 0.78 TRPV1 (0.55) TRPV1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL3596557 0.77 TRPV1 (0.47) TRPV1RAB9ANPC1SMN1; SMN2PKM

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-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 2274/4885NPC1 959/4885

“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.