SCHEMBL5360922

SCHEMBL5360922

O=C(Nc1ccc2c(c1)OCC(CO)N2)c1ccc(C=CC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
ROCK2 O75116 1/20 0.39
TRPV1 Q8NER1 5/20 0.38
MAPT P10636 4/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL5360914 1.00 NPC1 (0.40) NPC1RAB9AROCK2TRPV1MAPT
SCHEMBL3586353 0.88 NPC1 (0.42) NPC1RAB9ATRPV1MAPTALDH1A1
SCHEMBL3586361 0.88 NPC1 (0.42) NPC1RAB9ATRPV1MAPTALDH1A1
SCHEMBL3586358 0.88 NPC1 (0.42) NPC1RAB9ATRPV1MAPTALDH1A1
SCHEMBL3586349 0.88 NPC1 (0.42) NPC1RAB9ATRPV1MAPTALDH1A1
SCHEMBL3591681 0.87 NPC1 (0.37) NPC1RAB9ATRPV1MAPTALDH1A1
SCHEMBL3591684 0.87 NPC1 (0.37) NPC1RAB9ATRPV1MAPTALDH1A1
SCHEMBL3591685 0.87 NPC1 (0.37) NPC1RAB9ATRPV1MAPTALDH1A1
SCHEMBL3591683 0.87 NPC1 (0.37) NPC1RAB9ATRPV1MAPTALDH1A1
SCHEMBL13544160 0.86 NPC1 (0.40) NPC1RAB9AROCK2TRPV1MAPT

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 3 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

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-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 NPC1 959/4885RAB9A 2274/4885ROCK2 3767/4885

“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.