SCHEMBL4433745

SCHEMBL4433745

O=C(Nc1ccc2ccccc2n1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.73
RAB9A P51151 7/20 0.73
MTOR P42345 1/20 0.57
DEGS1 O15121 1/20 0.55
PTGS1 P23219 3/20 0.53
ADORA3 P0DMS8 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA2B P29275 1/20 0.53
ADORA1 P30542 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.51
KCNJ11 Q14654 1/20 0.51

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
SCHEMBL28230040 0.87 NPC1 (0.66) NPC1RAB9AMTORPTGS1MAPT
SCHEMBL5091480 0.85 NPC1 (0.77) NPC1RAB9AMTORADORA3ADORA2A
SCHEMBL6257291 0.85 NPC1 (1.00) NPC1RAB9AMTORADORA3ADORA2A
SCHEMBL12204397 0.84 NPC1 (1.00) NPC1RAB9AMTORADORA3ADORA2A
SCHEMBL4983597 0.83 NPC1 (0.56) NPC1RAB9A
SCHEMBL15931641 0.82 NPC1 (1.00) NPC1RAB9AMTORADORA3ADORA2A
SCHEMBL3775369 0.81 KCNK3 (0.64) NPC1RAB9APTGS1MAPTKMT2A
SCHEMBL3767063 0.81 RHOC (0.63) NPC1RAB9AMTORPTGS1MAPT
SCHEMBL31725147 0.80 NPC1 (0.74) NPC1RAB9AMTORADORA3ADORA2A
SCHEMBL19616650 0.80 NPC1 (0.74) NPC1RAB9AMTORADORA3ADORA2A

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
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 NPC1 784/4885RAB9A 1477/4885MTOR 1830/4885

“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.