SCHEMBL472398

SCHEMBL472398

Cc1nc(Cl)oc1-c1ccc(C(F)(F)F)nc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.44
TRPV4 Q9HBA0 1/20 0.39
TRPV3 Q8NET8 4/20 0.37
PIK3CA P42336 3/20 0.37
PI4KB Q9UBF8 2/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
KCNH2 Q12809 3/20 0.37
MTOR P42345 2/20 0.37
MAP4K4 O95819 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL472556 0.78 MAPT (0.41) CASP3
SCHEMBL472422 0.74 TRPV4 (0.42) CASP3TRPV4TRPV3PIK3CAPI4KB
SCHEMBL472491 0.73 NPC1 (0.42)
SCHEMBL472351 0.72 CYP11B2 (0.48)
SCHEMBL472833 0.72 KDM4E (0.41) CASP3
SCHEMBL17067693 0.71 PIK3CA (0.44) CASP3TRPV4TRPV3PIK3CAPI4KB
SCHEMBL2288917 0.71 NPSR1 (0.45) CASP3TRPV3
SCHEMBL1846467 0.71 BRD4 (0.48) CASP3
SCHEMBL472566 0.69 NPC1 (0.37)
SCHEMBL13680514 0.69 TRPV4 (0.43) CASP3TRPV4TRPV3PIK3CAPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2412372-A1 2-Aminooxazole derivatives for use as TRPV1 antagonists for treating i.a. pain, inflammation, neurodegenerative diseases or gastrointestinal diseases Abbott Laboratories (US) 2012-02-01 EP disclosed
US-7998993-B2 TRPV1 antagonists ABBOTT LABORATORIES (US) 2011-08-16 US disclosed
EP-2220059-B1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LAB (US) 2011-08-03 EP disclosed
EP-2220059-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2010-08-25 EP disclosed
US-20090124666-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-05-14 US disclosed
WO-2009055749-A1 2-AMINOOXAZOLE DERIVATIVES AS TRPVL ANTAGONISTS USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2009-04-30 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-20090124666-A1 TRPV1 ANTAGONISTS TRPV1, TRPV2, TRPV3 CASP3 2715/4885TRPV4 4/4885TRPV3 3/4885

“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.