SCHEMBL4016663

SCHEMBL4016663

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
NPC1 O15118 3/20 0.53
POLB P06746 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KEAP1 Q14145 2/20 0.51
NFE2L2 Q16236 2/20 0.51
EPHX2 P34913 3/20 0.51
EPHX1 P07099 1/20 0.49
GPR119 Q8TDV5 2/20 0.48
USP30 Q70CQ3 1/20 0.47
ALDH1A1 P00352 2/20 0.47
RAB9A P51151 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL27008592 0.87 PTPN2 (0.62) NPC1POLBMAPTMEN1KMT2A
SCHEMBL6313737 0.86 EPHX2 (0.68) CA12CA1CA2CA9NPC1
SCHEMBL4117262 0.86 KMT2A (0.60) NPC1POLBMAPTMEN1KMT2A
SCHEMBL13657544 0.86 EPHX2 (0.52) NPC1POLBMAPTMEN1KMT2A
SCHEMBL28834097 0.84 ALDH1A1 (0.51) NPC1POLBMAPTEPHX2GPR119
SCHEMBL28834095 0.84 ALDH1A1 (0.51) NPC1POLBMAPTEPHX2GPR119
SCHEMBL29862759 0.84 ALDH1A1 (0.51) NPC1POLBMAPTEPHX2GPR119
SCHEMBL29862504 0.84 ALDH1A1 (0.51) NPC1POLBMAPTEPHX2GPR119
SCHEMBL28951986 0.84 ALDH1A1 (0.51) NPC1POLBMAPTEPHX2GPR119
SCHEMBL4012357 0.81 EPHX2 (0.59) NPC1POLBMAPTMEN1KMT2A

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 12 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
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

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 CA12 3893/4885CA1 3340/4885CA2 2712/4885
US-20080227780-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 CA12 3104/4885CA1 1540/4885CA2 2153/4885

“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.