SCHEMBL472537

SCHEMBL472537

Cc1ncoc1-c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.42
NOTUM Q6P988 3/20 0.40
GRM2 Q14416 3/20 0.39
IMPDH2 P12268 2/20 0.39
IMPDH1 P20839 1/20 0.39
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
SCN9A Q15858 2/20 0.36
COMT P21964 1/20 0.34
FAAH O00519 4/20 0.34
MAPT P10636 1/20 0.34
TRPV3 Q8NET8 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
SCHEMBL472444 0.84 CYP11B2 (0.46)
SCHEMBL472514 0.81 AHR (0.45) KMONOTUMIMPDH2IMPDH1
SCHEMBL472545 0.77 MAPK14 (0.47) KMOGRM2IMPDH2IMPDH1
SCHEMBL472456 0.77 GRM2 (0.41) KMONOTUMGRM2SCN9AMAPT
SCHEMBL472518 0.74 IMPDH2 (0.47) IMPDH2IMPDH1GSK3BMAPT
SCHEMBL1855319 0.73 NOTUM (0.51) NOTUMIMPDH2
SCHEMBL472411 0.72 GAA (0.49) NOTUMIMPDH2IMPDH1MAPT
SCHEMBL472422 0.71 TRPV4 (0.42) IMPDH2IMPDH1TRPV3
SCHEMBL472496 0.70 IMPDH2 (0.41) KMOIMPDH2IMPDH1CDK2GSK3B
SCHEMBL9953638 0.70 NOTUM (0.47) NOTUMIMPDH2MAPT

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

“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.