SCHEMBL13876388

SCHEMBL13876388

CC(C)CCNC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.52
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GRM5 P41594 1/20 0.47
PPARD Q03181 2/20 0.46
TRPV1 Q8NER1 5/20 0.46
GCG P01275 1/20 0.46
SCD O00767 1/20 0.44
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
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
SCHEMBL12647411 0.88 HDAC3 (0.49) GCGRSMN1; SMN2PPARDTRPV1EPHX2
SCHEMBL13876391 0.85 NPC1 (0.54) GCGRNPC1RAB9ASMN1; SMN2GRM5
SCHEMBL13876367 0.85 LIPE (0.51) GRM5PPARDTRPV1SCDEPHX2
SCHEMBL13876401 0.84 NPC1 (0.55) NPC1RAB9ASMN1; SMN2GRM5EPHX2
SCHEMBL13876398 0.82 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2GRM5GCG
SCHEMBL13876984 0.81 TRPV1 (0.55) GCGRNPC1RAB9ASMN1; SMN2TRPV1
SCHEMBL12966949 0.79 MCHR1 (0.56) NPC1RAB9ASMN1; SMN2TRPV1EPHX2
SCHEMBL5128240 0.79 RXFP1 (0.56) NPC1SMN1; SMN2TRPV1
SCHEMBL13876811 0.78 RAB9A (0.50) NPC1RAB9ASMN1; SMN2GRM5GCG
SCHEMBL13876371 0.77 LIPE (0.54) RAB9AGRM5SCDEPHX2NAMPT

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 GCGR 3532/4885NPC1 1396/4885RAB9A 2900/4885

“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.