SCHEMBL13876362

SCHEMBL13876362

CC(C)CCNC(=O)c1ccc(Oc2ccc(S(C)(=O)=O)cc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.55
HPGD P15428 1/20 0.49
GRM5 P41594 1/20 0.47
OPRM1 P35372 3/20 0.46
OPRD1 P41143 3/20 0.46
OPRK1 P41145 1/20 0.46
PRKAA2 P54646 1/20 0.45
HTT P42858 1/20 0.44
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
NAMPT P43490 1/20 0.43

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
SCHEMBL13876359 0.88 EPHX2 (0.48) EPHX2HPGDGRM5OPRM1OPRD1
SCHEMBL14457026 0.86 GRM5 (0.50) EPHX2HPGDGRM5OPRM1OPRD1
SCHEMBL14456723 0.83 GRM5 (0.50) EPHX2GRM5OPRM1OPRD1OPRK1
SCHEMBL13876367 0.83 LIPE (0.51) EPHX2GRM5OPRM1OPRD1OPRK1
SCHEMBL13876381 0.83 GRM5 (0.52) EPHX2GRM5OPRM1OPRD1OPRK1
SCHEMBL13876356 0.81 GRM5 (0.50) EPHX2GRM5OPRM1OPRD1OPRK1
SCHEMBL14457029 0.79 EPHX2 (0.46) EPHX2OPRM1OPRD1OPRK1HTT
SCHEMBL13876535 0.77 EPHX2 (0.70) EPHX2OPRM1OPRD1OPRK1
SCHEMBL14456994 0.77 EPHX2 (0.66) EPHX2OPRM1OPRD1OPRK1PRKAA2
SCHEMBL6685808 0.77 OPRM1 (0.54) OPRM1OPRD1OPRK1GRNSORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 US disclosed
US-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 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-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors EPHX1, EPHX2, NCEH1 EPHX2 2/4885HPGD 14/4885GRM5 3574/4885

“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.