SCHEMBL472456

SCHEMBL472456

Cc1nc(Cl)oc1-c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.41
KMO O15229 2/20 0.41
NOTUM Q6P988 6/20 0.37
TRPV3 Q8NET8 1/20 0.36
SCN9A Q15858 2/20 0.36
CYP1A2 P05177 1/20 0.35
CASP3 P42574 1/20 0.34
MAPT P10636 1/20 0.34
PDE2A O00408 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 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
SCHEMBL472351 0.87 CYP11B2 (0.48) GRM2CYP11B1CYP11B2
SCHEMBL472472 0.81 AHR (0.45) KMONOTUMCYP1A2CASP3MAPT
SCHEMBL472556 0.78 MAPT (0.41) NOTUMCASP3MAPT
SCHEMBL472410 0.77 ABL1 (0.40) GRM2KMOCYP1A2
SCHEMBL1846467 0.77 BRD4 (0.48) NOTUMCYP1A2CASP3MAPT
SCHEMBL472537 0.77 KMO (0.42) GRM2KMONOTUMTRPV3SCN9A
SCHEMBL472426 0.74 NISCH (0.39) KMOMAPT
SCHEMBL472398 0.73 CASP3 (0.44) TRPV3CASP3
SCHEMBL472469 0.73 TRPA1 (0.34) NOTUMTRPV3CYP1A2PDE2A
SCHEMBL472491 0.73 NPC1 (0.42) MAPT

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 GRM2 360/4885KMO 997/4885NOTUM 3762/4885

“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.