SCHEMBL11937745

SCHEMBL11937745

O=C(NC1CCCC1)c1cc(-c2ccc(C(F)(F)F)cc2)on1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 1.00
NPC1 O15118 11/20 0.76
RAB9A P51151 10/20 0.76
TDP1 Q9NUW8 1/20 0.76
MLLT1 Q03111 3/20 0.73
KMT2A Q03164 3/20 0.72
S1PR1 P21453 2/20 0.70
MEN1 O00255 2/20 0.70
MLLT3 P42568 2/20 0.63

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
SCHEMBL17661429 0.86 NPC1 (1.00) TRPV1NPC1RAB9ATDP1MLLT1
SCHEMBL11931680 0.84 NPC1 (1.00) TRPV1NPC1RAB9ATDP1MLLT1
SCHEMBL11931686 0.84 NPC1 (1.00) TRPV1NPC1RAB9ATDP1MLLT1
SCHEMBL14160551 0.82 TRPV1 (0.70) TRPV1NPC1RAB9ATDP1MLLT1
SCHEMBL18618367 0.82 MLLT1 (0.95) TRPV1NPC1RAB9ATDP1MLLT1
SCHEMBL13902147 0.82 S1PR1 (1.00) TRPV1NPC1RAB9ATDP1MLLT1
SCHEMBL17933816 0.81 NPC1 (0.95) TRPV1NPC1RAB9ATDP1MLLT1
SCHEMBL18616978 0.79 NPC1 (0.73) TRPV1NPC1RAB9ATDP1MLLT1
SCHEMBL15099490 0.78 NPC1 (0.90) TRPV1NPC1RAB9ATDP1MLLT1
SCHEMBL31604666 0.77 TRPV1 (0.63) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211927-B2 5-phenyl-isoxazole-3-carboxamide derivatives as TRPV1 modulators MSD, Oss B.V. (NL) 2012-07-03 US disclosed
EP-2185530-B1 5-PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS ORGANON NV (NL) 2011-09-14 EP disclosed
US-20110065764-A1 5- PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS N.V. Organon and Pharmacopeia, LLC (NL) 2011-03-17 US disclosed
WO-2009016241-A1 5-PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS N.V. ORGANON (NL) 2009-02-05 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-20110065764-A1 5- PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS TRPV1, TRPV5, TRPV3 TRPV1 1/4885NPC1 1617/4885RAB9A 1560/4885

“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.