SCHEMBL4117262

SCHEMBL4117262

CC(=O)N1CCC(NC(=O)Nc2ccc3ncccc3c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
NPC1 O15118 2/20 0.60
POLB P06746 2/20 0.60
MEN1 O00255 1/20 0.60
MAPT P10636 1/20 0.60
EPHX2 P34913 8/20 0.56
EPHX1 P07099 1/20 0.52
JAK2 O60674 1/20 0.51
CCNE1 P24864 1/20 0.50
CDK2 P24941 1/20 0.50
CDK5 Q00535 1/20 0.50
NAMPT P43490 1/20 0.48
RAB9A P51151 1/20 0.48
PABPC1 P11940 1/20 0.48
CCKBR P32239 1/20 0.47
CXCR3 P49682 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL13657544 0.87 EPHX2 (0.52) KMT2ANPC1POLBMEN1MAPT
SCHEMBL4012357 0.86 EPHX2 (0.59) KMT2ANPC1POLBMEN1MAPT
SCHEMBL4016663 0.86 CA12 (0.56) KMT2ANPC1POLBMEN1MAPT
SCHEMBL8543438 0.84 EPHX2 (0.63) KMT2ANPC1POLBMEN1MAPT
SCHEMBL5527183 0.84 NPC1 (0.68) KMT2ANPC1POLBMEN1MAPT
SCHEMBL4014109 0.77 SMN1; SMN2 (0.60) KMT2ANPC1POLBMEN1MAPT
SCHEMBL4010312 0.77 EPHX2 (0.77) NPC1POLBEPHX2EPHX1JAK2
SCHEMBL651929 0.77 NPC1 (1.00) KMT2ANPC1POLBMEN1MAPT
SCHEMBL31054249 0.77 NPC1 (1.00) KMT2ANPC1POLBMEN1MAPT
SCHEMBL4012735 0.76 EPHX2 (0.70) EPHX2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679258-A 4-piperidinylurea compounds as soluble epoxide hydrolase inhibitors ARETE THERAPEUTICS INC 2010-03-24 CN claimed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US 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-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 KMT2A 4287/4885NPC1 1529/4885POLB 3699/4885
US-20080227780-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 KMT2A 3884/4885NPC1 1534/4885POLB 2485/4885

“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.