SCHEMBL4012079

SCHEMBL4012079

COC(=O)c1ccc(CNC(=O)NC2CCN(C(C)=O)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 2/20 0.53
EPHX1 P07099 5/20 0.53
MCHR1 Q99705 5/20 0.50
HPGD P15428 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
DRD4 P21917 1/20 0.50
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL1908724 0.83 SMN1; SMN2 (0.50) EPHX2SMN1; SMN2RAB9ANPC1EPHX1
SCHEMBL4017201 0.81 EPHX2 (0.76) EPHX2SMN1; SMN2RAB9ANPC1EPHX1
SCHEMBL4015274 0.81 ALDH1A1 (0.60) SMN1; SMN2RAB9ANPC1EPHX1MCHR1
SCHEMBL4014107 0.81 EPHX2 (0.69) EPHX2SMN1; SMN2RAB9AEPHX1MCHR1
SCHEMBL24011481 0.80 NPC1 (0.68) EPHX2SMN1; SMN2RAB9ANPC1EPHX1
SCHEMBL24011230 0.78 EPHX2 (0.61) EPHX2SMN1; SMN2RAB9ANPC1EPHX1
SCHEMBL24011193 0.77 MCHR1 (0.70) EPHX2SMN1; SMN2RAB9ANPC1MCHR1
SCHEMBL24011137 0.76 POLB (0.63) EPHX2SMN1; SMN2RAB9ANPC1EPHX1
SCHEMBL17560251 0.76 MAPT (0.64) EPHX2SMN1; SMN2RAB9ANPC1EPHX1
SCHEMBL20691174 0.75 BCHE (0.45) EPHX2SMN1; SMN2RAB9ANPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132176-A1 4-PIPERIDINYLUREA COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Arete Therapeutics, Inc. (US) 2009-12-16 EP claimed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US claimed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO claimed
WO-2008112022-A1 4 -PI PERIDINYLUREA COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-09-18 WO claimed
US-20080227780-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-09-18 US claimed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US disclosed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US disclosed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US disclosed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO disclosed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO disclosed
WO-2008112022-A1 4 -PI PERIDINYLUREA COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-09-18 WO disclosed
US-20080227780-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-09-18 US disclosed
US-20080227780-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-09-18 US disclosed
US-20080227780-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-09-18 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 (2 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-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION EPHX1, ECE1, LIPG EPHX2 5/4885SMN1; SMN2 4793/4885RAB9A 2783/4885
US-20080227780-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 EPHX2 2/4885SMN1; SMN2 4108/4885RAB9A 2234/4885

“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.