SCHEMBL6863250

SCHEMBL6863250

NC1(CC(=O)N2CCC(NC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.62
CXCR3 P49682 6/20 0.56
CYP2D6 P10635 1/20 0.49
PAK3 O75914 1/20 0.47
PAK1 Q13153 1/20 0.47
PAK2 Q13177 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
SCHEMBL6863997 0.86 EPHX2 (0.47) EPHX2CXCR3CYP2D6
SCHEMBL6863510 0.86 EPHX2 (0.45) EPHX2CXCR3
SCHEMBL12014318 0.85 CXCR3 (0.62) EPHX2CXCR3CYP2D6PAK3PAK1
SCHEMBL6862576 0.84 EPHX2 (0.44) EPHX2CXCR3
SCHEMBL12014289 0.82 MGLL (0.46) EPHX2CXCR3
SCHEMBL12005298 0.81 S1PR2 (0.44) EPHX2
SCHEMBL12015274 0.80 LMNA (0.40) EPHX2CYP2D6
SCHEMBL20041091 0.79 EPHX2 (0.80) EPHX2CXCR3
SCHEMBL17130479 0.77 EPHX2 (1.00) EPHX2
SCHEMBL23736048 0.76 EPHX2 (0.75) EPHX2CXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220564-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 US disclosed
US-20120220564-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 US disclosed
US-20120220564-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 US disclosed
WO-2011032291-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD . (CA) 2011-03-24 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-20120220564-A1 SELECTIVE CALCIUM CHANNEL MODULATORS CACNA1G, CACNA1I, CACNA1H EPHX2 3610/4885CXCR3 2678/4885CYP2D6 2770/4885

“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.