SCHEMBL4105384

SCHEMBL4105384

COc1cccc(CNC(=O)N2CCC(Oc3ccc(F)cc3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.59
PKM P14618 4/20 0.55
KIT P10721 2/20 0.54
CHRNA7 P36544 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HRH3 Q9Y5N1 1/20 0.52
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
GLA P06280 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2J2 P51589 1/20 0.51

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
SCHEMBL4106438 0.89 EPHX2 (0.60) EPHX2CHRNA7SMN1; SMN2ALDH1A1TSHR
SCHEMBL4101221 0.88 EPHX2 (0.61) EPHX2PKMKITCHRNA7SMN1; SMN2
SCHEMBL13873824 0.88 EPHX2 (0.59) EPHX2KITCHRNA7SMN1; SMN2ALDH1A1
SCHEMBL12466289 0.82 EPHX2 (0.61) EPHX2CHRNA7SMN1; SMN2ALDH1A1TSHR
SCHEMBL4105262 0.82 CHRNA7 (0.66) EPHX2PKMCHRNA7SMN1; SMN2ALDH1A1
SCHEMBL13873498 0.82 EPHX2 (0.64) EPHX2CHRNA7SMN1; SMN2ALDH1A1TSHR
SCHEMBL4114824 0.81 EPHX2 (0.70) EPHX2CHRNA7HRH3ALDH1A1TSHR
SCHEMBL4097087 0.81 EPHX2 (0.64) EPHX2PKMCYP2C9CYP2J2
SCHEMBL13873650 0.81 EPHX2 (0.61) EPHX2PKMCYP2C9CYP2J2
SCHEMBL13873654 0.81 EPHX2 (0.51) EPHX2SMN1; SMN2CYP2C9CYP2J2

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
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
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 2/4885PKM 3850/4885KIT 1043/4885

“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.