SCHEMBL1686321

SCHEMBL1686321

Cc1c(C(=O)N[C@@H](C)C(C)C)noc1-c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.76
KIF11 P52732 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PDE2A O00408 4/20 0.39
P2RX7 Q99572 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CNR1 P21554 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
SCHEMBL1686325 1.00 TRPV1 (0.76) TRPV1KIF11HDAC4HDAC6PDE2A
SCHEMBL1686455 0.88 TRPV1 (0.66) TRPV1HDAC4HDAC6
SCHEMBL1686452 0.88 TRPV1 (0.66) TRPV1HDAC4HDAC6
SCHEMBL766539 0.87 TRPV1 (1.00) TRPV1KIF11HDAC4HDAC6
SCHEMBL766538 0.87 TRPV1 (1.00) TRPV1KIF11HDAC4HDAC6
SCHEMBL766684 0.87 TRPV1 (1.00) TRPV1KIF11HDAC4HDAC6
SCHEMBL1686308 0.84 TRPV1 (0.81) TRPV1KIF11HDAC4HDAC6P2RX7
SCHEMBL1686306 0.84 TRPV1 (0.81) TRPV1KIF11HDAC4HDAC6P2RX7
SCHEMBL1686549 0.82 TRPV1 (0.59) TRPV1KIF11P2RX7
SCHEMBL1686553 0.81 TRPV1 (0.62) TRPV1KIF11HDAC4HDAC6P2RX7

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 10 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 claimed
EP-2185530-B1 5-PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS ORGANON NV (NL) 2011-09-14 EP claimed
US-20110065764-A1 5- PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS N.V. Organon and Pharmacopeia, LLC (NL) 2011-03-17 US claimed
US-8211927-B2 5-phenyl-isoxazole-3-carboxamide derivatives as TRPV1 modulators MSD, Oss B.V. (NL) 2012-07-03 US disclosed
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
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
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 1/4885KIF11 3495/4885HDAC4 988/4885

“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.