SCHEMBL3946002

SCHEMBL3946002

CN1CCN(C(=O)c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 14/20 1.00
HPGDS O60760 1/20 0.62
ALDH1A1 P00352 2/20 0.58
TP53 P04637 2/20 0.58
HPGD P15428 2/20 0.58
HTT P42858 2/20 0.58
BAZ1A Q9NRL2 1/20 0.55
MTOR P42345 1/20 0.55
PRKAB2 O43741 1/20 0.54
PRKAG1 P54619 1/20 0.54
PRKAA2 P54646 1/20 0.54
PRKAA1 Q13131 1/20 0.54
PRKAG3 Q9UGI9 1/20 0.54
PRKAG2 Q9UGJ0 1/20 0.54
PRKAB1 Q9Y478 1/20 0.54

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
SCHEMBL10202129 0.90 EPHX2 (0.81) EPHX2HPGDSALDH1A1TP53HPGD
SCHEMBL3939174 0.88 EPHX2 (1.00) EPHX2HPGDPRKAB2PRKAG1PRKAA2
SCHEMBL3934244 0.88 EPHX2 (1.00) EPHX2HPGDSALDH1A1TP53HPGD
SCHEMBL3347907 0.86 EPHX2 (1.00) EPHX2HPGDSALDH1A1TP53HPGD
SCHEMBL15871715 0.86 EPHX2 (0.75) EPHX2ALDH1A1TP53HPGDHTT
SCHEMBL3936950 0.84 EPHX2 (0.72) EPHX2HPGDSALDH1A1TP53HPGD
SCHEMBL3946025 0.83 EPHX2 (0.71) EPHX2HPGDSALDH1A1TP53HPGD
SCHEMBL10268102 0.83 EPHX2 (0.71) EPHX2ALDH1A1TP53HPGDHTT
SCHEMBL20458861 0.83 EPHX2 (0.71) EPHX2ALDH1A1TP53HPGDHTT
SCHEMBL3941583 0.82 EPHX2 (1.00) EPHX2HPGDSMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101495119-A Soluble epoxide hydrolase inhibitors ARETE THERAPEUTICS INC (US) 2009-07-29 CN claimed
EP-2046329-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS Arete Therapeutics, INC. (US) 2009-04-15 EP claimed
WO-2008016884-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-02-07 WO claimed
US-20080032978-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-02-07 US claimed
CN-101495119-A Soluble epoxide hydrolase inhibitors ARETE THERAPEUTICS INC (US) 2009-07-29 CN disclosed
EP-2046329-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS Arete Therapeutics, INC. (US) 2009-04-15 EP disclosed
US-20080032978-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-02-07 US disclosed
WO-2008016884-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-02-07 WO disclosed
US-20080032978-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-02-07 US disclosed
US-20080032978-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-02-07 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 (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-20080032978-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 EPHX2 2/4885HPGDS 42/4885ALDH1A1 586/4885

“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.