SCHEMBL4101221

SCHEMBL4101221

COc1ccc(CNC(=O)N2CCC(Oc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.61
TSHR P16473 2/20 0.56
ALDH1A1 P00352 1/20 0.56
GLA P06280 1/20 0.55
CHRNA7 P36544 1/20 0.55
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KIT P10721 1/20 0.52
PKM P14618 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
SCHEMBL4105262 0.91 CHRNA7 (0.66) EPHX2TSHRALDH1A1CHRNA7SMN1; SMN2
SCHEMBL13873498 0.91 EPHX2 (0.64) EPHX2TSHRALDH1A1CHRNA7SMN1; SMN2
SCHEMBL13873823 0.89 EPHX2 (0.56) EPHX2ALDH1A1GAASMN1; SMN2
SCHEMBL12466289 0.89 EPHX2 (0.61) EPHX2TSHRALDH1A1CHRNA7SMN1; SMN2
SCHEMBL4105384 0.88 EPHX2 (0.59) EPHX2TSHRALDH1A1GLACHRNA7
SCHEMBL7096653 0.87 EPHX2 (0.59) EPHX2TSHRALDH1A1CHRNA7SMN1; SMN2
SCHEMBL13890321 0.87 EPHX2 (0.59) EPHX2TSHRALDH1A1CHRNA7SMN1; SMN2
SCHEMBL7092551 0.85 EPHX2 (0.57) EPHX2TSHRALDH1A1CHRNA7SMN1; SMN2
SCHEMBL13873499 0.84 EPHX2 (0.61) EPHX2TSHRALDH1A1CHRNA7SMN1; SMN2
SCHEMBL13873500 0.84 EPHX2 (0.61) EPHX2TSHRALDH1A1CHRNA7SMN1; SMN2

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 2/4885TSHR 4350/4885ALDH1A1 385/4885

“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.