SCHEMBL4095935

SCHEMBL4095935

O=C(NCc1ccc(Cl)cc1)N1CCC(Oc2ncccn2)CC1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.74
CYP2C9 P11712 5/20 0.74
CYP2J2 P51589 5/20 0.74
CYP2C19 P33261 1/20 0.74
GRIN2B Q13224 1/20 0.51
NPC1 O15118 1/20 0.49
KMT2A Q03164 3/20 0.49
PKM P14618 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 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
SCHEMBL4107804 0.88 EPHX2 (0.70) EPHX2CYP2C9CYP2J2CYP2C19GRIN2B
SCHEMBL13873468 0.86 EPHX2 (0.62) EPHX2CYP2C9CYP2J2CYP2C19GRIN2B
SCHEMBL4109820 0.85 EPHX2 (1.00) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL4106308 0.83 EPHX2 (0.79) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL13873763 0.81 EPHX2 (0.61) EPHX2CYP2C9CYP2J2CYP2C19GRIN2B
SCHEMBL13873768 0.79 EPHX2 (0.67) EPHX2CYP2C9CYP2J2CYP2C19GRIN2B
SCHEMBL13873769 0.79 EPHX2 (0.81) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL4109744 0.79 EPHX2 (0.89) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL13873459 0.79 EPHX2 (0.81) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL13873413 0.79 EPHX2 (0.81) EPHX2CYP2C9CYP2J2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
EP-1996545-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME Boehringer Ingelheim International GmbH (DE) 2008-12-03 EP disclosed
WO-2007106705-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 EPHX2 2/4885CYP2C9 477/4885CYP2J2 405/4885

“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.