SCHEMBL13876375

SCHEMBL13876375

CC(C)CCNC(=O)c1ccc(Oc2ccccc2C#N)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.53
ADRB1 P08588 2/20 0.51
MAPK14 Q16539 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NAMPT P43490 1/20 0.46
EPHX2 P34913 4/20 0.46
CYP3A4 P08684 1/20 0.46
GABRA5 P31644 1/20 0.45
MAPK1 P28482 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB3 P13945 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP2J2 P51589 1/20 0.42
SCN9A Q15858 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
XDH P47989 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
SCHEMBL14457461 0.84 GRM5 (0.53) GRM5SMN1; SMN2NPC1RAB9ANAMPT
SCHEMBL13876376 0.82 EPHX2 (0.54) GRM5SMN1; SMN2NPC1RAB9ANAMPT
SCHEMBL13876356 0.81 GRM5 (0.50) GRM5SMN1; SMN2NPC1RAB9ANAMPT
SCHEMBL13876381 0.81 GRM5 (0.52) GRM5NAMPTEPHX2SCN9A
SCHEMBL13876377 0.80 HRH3 (0.58) GRM5SMN1; SMN2NPC1RAB9ANAMPT
SCHEMBL18609606 0.76 HTT (0.51) MAPK14NPC1RAB9ACYP3A4CYP2C9
SCHEMBL14457026 0.76 GRM5 (0.50) GRM5SMN1; SMN2NPC1RAB9ANAMPT
SCHEMBL4185976 0.75 EPHX2 (0.60) MAPK14EPHX2CYP3A4MAPK1LMNA
SCHEMBL13875913 0.75 NPC1 (0.43) MAPK14SMN1; SMN2NPC1RAB9ACYP3A4
SCHEMBL13876327 0.75 EPHX2 (0.60) MAPK14EPHX2CYP3A4MAPK1

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 3574/4885ADRB1 3341/4885MAPK14 2991/4885

“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.