SCHEMBL6864238

SCHEMBL6864238

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC1CCN(C(=O)[C@H]2CCCCN2)CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 4/20 0.55
EPHX2 P34913 15/20 0.54
PAK3 O75914 1/20 0.51
PAK1 Q13153 1/20 0.51
PAK2 Q13177 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
SCHEMBL12004739 1.00 CXCR3 (0.55) CXCR3EPHX2PAK3PAK1PAK2
SCHEMBL6863633 1.00 CXCR3 (0.55) CXCR3EPHX2PAK3PAK1PAK2
SCHEMBL6863248 0.93 CXCR3 (0.51) CXCR3EPHX2PAK3PAK1PAK2
SCHEMBL12005295 0.85 CXCR3 (0.46) CXCR3EPHX2PAK3PAK1PAK2
SCHEMBL12005297 0.85 CXCR3 (0.46) CXCR3EPHX2PAK3PAK1PAK2
SCHEMBL12005445 0.85 CXCR3 (0.46) CXCR3EPHX2PAK3PAK1PAK2
SCHEMBL6863225 0.84 EPHX2 (0.47) EPHX2
SCHEMBL4279470 0.83 EPHX2 (0.45) CXCR3EPHX2PAK1
SCHEMBL4279471 0.83 EPHX2 (0.45) CXCR3EPHX2PAK1
SCHEMBL12015290 0.83 EPHX2 (0.45) CXCR3EPHX2PAK1

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 CXCR3 2678/4885EPHX2 3610/4885PAK3 2897/4885

“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.