SCHEMBL4002976

SCHEMBL4002976

O=C(Nc1cccc(N2CCCC2=O)c1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
EPHX2 P34913 18/20 0.60
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL4000680 0.86 EPHX2 (0.64) EPHX2MAPTSMN1; SMN2
SCHEMBL14222742 0.84 GAA (0.53) GAAEPHX2ALDH1A1MAPTHPGD
SCHEMBL4927703 0.78 EPHX2 (0.77) EPHX2ALDH1A1MAPTHPGDNPSR1
SCHEMBL12932180 0.75 EPHX2 (1.00) EPHX2ALDH1A1MAPTHPGDNPSR1
SCHEMBL14222737 0.75 EPHX2 (0.48) EPHX2ALDH1A1MAPTHPGDMEN1
SCHEMBL6568488 0.75 EPHX2 (1.00) EPHX2ALDH1A1MAPTHPGDNPSR1
SCHEMBL4927278 0.74 EPHX2 (0.61) EPHX2ALDH1A1MAPTHPGDNPSR1
SCHEMBL3998620 0.73 GAA (0.63) GAAEPHX2ALDH1A1MAPTHPGD
SCHEMBL12932201 0.73 EPHX2 (1.00) EPHX2ALDH1A1MAPTHPGDNPSR1
SCHEMBL3762758 0.73 GAA (0.70) GAAALDH1A1MAPTHPGDMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066642-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS Arete Therapeutics, INC. (US) 2009-06-10 EP claimed
WO-2008039794-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-04-03 WO claimed
US-20080076770-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-03-27 US claimed
US-20080076770-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-03-27 US disclosed
US-20080076770-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-03-27 US disclosed
US-20080076770-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-03-27 US 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-20080076770-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 GAA 1387/4885EPHX2 2/4885ALDH1A1 588/4885

“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.