SCHEMBL13876381

SCHEMBL13876381

CC(C)CCNC(=O)c1ccc(Oc2ccc(C#N)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.52
EGLN1 Q9GZT9 9/20 0.50
OPRM1 P35372 2/20 0.46
OPRD1 P41143 2/20 0.46
OPRK1 P41145 1/20 0.46
NAMPT P43490 2/20 0.45
EPHX2 P34913 1/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
JAK3 P52333 1/20 0.45
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
FPR2 P25090 1/20 0.44
SCN9A Q15858 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL13876377 0.88 HRH3 (0.58) GRM5EGLN1NAMPTEPHX2JAK2
SCHEMBL14457026 0.86 GRM5 (0.50) GRM5OPRM1OPRD1OPRK1NAMPT
SCHEMBL14456723 0.83 GRM5 (0.50) GRM5OPRM1OPRD1OPRK1NAMPT
SCHEMBL13876367 0.83 LIPE (0.51) GRM5OPRM1OPRD1OPRK1EPHX2
SCHEMBL13876362 0.83 EPHX2 (0.55) GRM5OPRM1OPRD1OPRK1NAMPT
SCHEMBL13876375 0.81 GRM5 (0.53) GRM5NAMPTEPHX2SCN9A
SCHEMBL20787943 0.81 EPHX2 (0.63) GRM5NAMPTEPHX2MEN1KMT2A
SCHEMBL6685808 0.77 OPRM1 (0.54) OPRM1OPRD1OPRK1GRNSORT1
SCHEMBL3689773 0.77 OPRM1 (0.73) OPRM1OPRD1OPRK1GRNSORT1
SCHEMBL6685812 0.76 OPRM1 (0.72) 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 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 GRM5 3574/4885EGLN1 198/4885OPRM1 3843/4885

“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.