SCHEMBL3944877

SCHEMBL3944877

COCCN1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.74
NAMPT P43490 1/20 0.59
P2RY1 P47900 1/20 0.56
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53
HRH3 Q9Y5N1 2/20 0.53
LSS P48449 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
KCNA5 P22460 1/20 0.52
HPGD P15428 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
SCHEMBL3944840 0.86 EPHX2 (0.70) EPHX2NAMPTDRD2DRD3MEN1
SCHEMBL3940878 0.86 EPHX2 (1.00) EPHX2HRH3MEN1KMT2AATM
SCHEMBL3939233 0.81 EPHX2 (1.00) EPHX2P2RY1HRH3HPGD
SCHEMBL3936504 0.79 EPHX2 (1.00) EPHX2ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL3937582 0.76 EPHX2 (0.70) EPHX2NAMPT
SCHEMBL13841325 0.75 EPHX2 (0.81) EPHX2ALDH1A1HRH3LSSMEN1
SCHEMBL3712028 0.74 NAMPT (1.00) NAMPT
SCHEMBL6538866 0.74 EPHX2 (0.67) EPHX2NAMPTHRH3
SCHEMBL763421 0.74 KCNA5 (0.70) NAMPTALDH1A1DRD2DRD3KCNA5
SCHEMBL17886738 0.74 HPGD (0.65) NAMPTALDH1A1LMNASMN1; SMN2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080032978-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-02-07 US claimed
EP-2046329-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS Arete Therapeutics, INC. (US) 2009-04-15 EP 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
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

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 2/4885NAMPT 1908/4885P2RY1 915/4885

“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.