SCHEMBL472420

SCHEMBL472420

Cc1ncoc1-c1ccc(C(F)(F)F)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.34
IMPDH1 P20839 2/20 0.34
DRD3 P35462 8/20 0.34
DRD2 P14416 7/20 0.34
KCNH2 Q12809 6/20 0.34
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
MPL P40238 1/20 0.31
PDE2A O00408 1/20 0.31
NOTUM Q6P988 1/20 0.30
CHRM1 P11229 2/20 0.30
CHRM3 P20309 2/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL472461 0.77 ALOX5AP (0.38) IMPDH2IMPDH1DRD3DRD2KCNH2
SCHEMBL472440 0.74 HSD11B1 (0.42) DRD3DRD2KCNH2MPLCHRM1
SCHEMBL472444 0.74 CYP11B2 (0.46)
SCHEMBL472469 0.73 TRPA1 (0.34) MPLPDE2ANOTUM
SCHEMBL472537 0.70 KMO (0.42) IMPDH2IMPDH1NOTUM
SCHEMBL13393503 0.69 IMPDH2 (0.38) IMPDH2IMPDH1DRD3DRD2KCNH2
SCHEMBL9955370 0.68 NOTUM (0.44) ADRA1DADRA1AADRA1BNOTUMMAPK14
SCHEMBL472518 0.67 IMPDH2 (0.47) IMPDH2IMPDH1DRD3DRD2KCNH2
SCHEMBL472449 0.67 NMUR2 (0.39) IMPDH2IMPDH1DRD3DRD2KCNH2
SCHEMBL31306329 0.67 KIT (0.38) IMPDH2IMPDH1ADRA1DADRA1AADRA1B

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 IMPDH2 4461/4885IMPDH1 4147/4885DRD3 632/4885

“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.