SCHEMBL472440

SCHEMBL472440

Cc1ncoc1-c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
MPL P40238 1/20 0.41
DRD3 P35462 12/20 0.41
KCNH2 Q12809 8/20 0.41
DRD2 P14416 12/20 0.40
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
DRD4 P21917 1/20 0.39
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
APP P05067 1/20 0.38

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 0.85 ALOX5AP (0.38) DRD3KCNH2DRD2ALOX5APFEN1
SCHEMBL472357 0.82 MPL (0.41) HSD11B1MPLALOX5APFEN1CYP11B1
SCHEMBL472583 0.81 MPL (0.39) HSD11B1MPLALOX5APFEN1CYP11B1
SCHEMBL13393503 0.81 IMPDH2 (0.38) DRD3KCNH2DRD2
SCHEMBL472449 0.78 NMUR2 (0.39) DRD3KCNH2DRD2ALOX5APFEN1
SCHEMBL31306329 0.78 KIT (0.38) ALOX5APFEN1
SCHEMBL13380090 0.76 LMNA (0.40) DRD3CHRM3CYP1A2
SCHEMBL472518 0.76 IMPDH2 (0.47) DRD3KCNH2DRD2CHRM1CHRM3
SCHEMBL472420 0.74 IMPDH2 (0.34) MPLDRD3KCNH2DRD2CHRM1
SCHEMBL1855319 0.74 NOTUM (0.51) DRD3KCNH2CYP1A2

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 4 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
US-20090124666-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-05-14 US 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 HSD11B1 3256/4885MPL 4565/4885DRD3 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.