SCHEMBL13876376

SCHEMBL13876376

CC(C)CCNC(=O)c1ccc(Oc2ccccc2OC(F)(F)F)nc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.54
GRM5 P41594 1/20 0.51
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP2J2 P51589 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SCD O00767 1/20 0.47
NAMPT P43490 1/20 0.47
DGAT1 O75907 2/20 0.44
GABRA5 P31644 1/20 0.44
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KCNH2 Q12809 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42

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
SCHEMBL13876367 0.86 LIPE (0.51) EPHX2GRM5CYP2C9CYP2C19CYP2J2
SCHEMBL14457461 0.85 GRM5 (0.53) EPHX2GRM5CYP2C9CYP2C19CYP2J2
SCHEMBL13876371 0.85 LIPE (0.54) EPHX2GRM5CYP2C9CYP2C19CYP2J2
SCHEMBL13876817 0.84 EPHX2 (0.51) EPHX2GRM5SMN1; SMN2NPC1RAB9A
SCHEMBL13876356 0.82 GRM5 (0.50) EPHX2GRM5CYP2C9CYP2C19CYP2J2
SCHEMBL13876375 0.82 GRM5 (0.53) EPHX2GRM5CYP2C9CYP2C19CYP2J2
SCHEMBL4178518 0.80 EPHX2 (0.73) EPHX2GRM5CYP2C9CYP2C19CYP2J2
SCHEMBL14457026 0.77 GRM5 (0.50) EPHX2GRM5CYP2C9CYP2C19CYP2J2
SCHEMBL12964619 0.76 RAB9A (0.52) EPHX2SMN1; SMN2NPC1RAB9ANAMPT
SCHEMBL13876443 0.76 EPHX2 (0.75) EPHX2

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 3574/4885CYP2C9 274/4885

“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.