SCHEMBL13876359

SCHEMBL13876359

CC(C)CCNC(=O)c1ccc(Oc2cccc(S(C)(=O)=O)c2)nc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.48
GRM5 P41594 1/20 0.46
GRN P28799 2/20 0.43
SORT1 Q99523 2/20 0.43
NAMPT P43490 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GABRA5 P31644 1/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.42
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL14457029 0.91 EPHX2 (0.46) EPHX2GRNSORT1GPR119GABRA5
SCHEMBL13876362 0.88 EPHX2 (0.55) EPHX2GRM5GRNSORT1NAMPT
SCHEMBL13876371 0.82 LIPE (0.54) EPHX2GRM5GRNSORT1NAMPT
SCHEMBL13876377 0.82 HRH3 (0.58) EPHX2GRM5GRNSORT1NAMPT
SCHEMBL13876489 0.80 EPHX2 (0.64) EPHX2NAMPTNPC1HTTALDH1A1
SCHEMBL13876539 0.80 EPHX2 (0.67) EPHX2HTTALDH1A1NPSR1
SCHEMBL13876356 0.80 GRM5 (0.50) EPHX2GRM5GRNSORT1NAMPT
SCHEMBL14457026 0.79 GRM5 (0.50) EPHX2GRM5GRNSORT1NAMPT
SCHEMBL4185742 0.78 EPHX2 (0.60) EPHX2
SCHEMBL19072052 0.78 ALDH1A1 (0.61) EPHX2NPC1RAB9ASMN1; SMN2HTT

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 3 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
WO-2007098352-A2 SUBSTITUTED PYRIDINEAMIDE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-30 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-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors EPHX1, EPHX2, NCEH1 EPHX2 2/4885GRM5 3574/4885GRN 4759/4885

“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.