SCHEMBL6863510

SCHEMBL6863510

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.45
CXCR3 P49682 4/20 0.43
NAMPT P43490 1/20 0.42
GAA P10253 1/20 0.42
RHOC P08134 3/20 0.42
RHOA P61586 3/20 0.42
LMNA P02545 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ACP1 P24666 1/20 0.39

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
SCHEMBL6862576 0.92 EPHX2 (0.44) EPHX2CXCR3GAARHOCRHOA
SCHEMBL6863997 0.88 EPHX2 (0.47) EPHX2CXCR3GAARHOCRHOA
SCHEMBL12014289 0.87 MGLL (0.46) EPHX2CXCR3GAARHOCRHOA
SCHEMBL4279051 0.86 CXCR3 (0.44) EPHX2CXCR3NAMPTGAARHOC
SCHEMBL6863250 0.86 EPHX2 (0.62) EPHX2CXCR3
SCHEMBL4274878 0.85 CXCR3 (0.45) EPHX2CXCR3NAMPTGAARHOC
SCHEMBL4280629 0.85 CXCR3 (0.45) EPHX2CXCR3NAMPTGAARHOC
SCHEMBL12005298 0.84 S1PR2 (0.44) EPHX2LMNAACP1
SCHEMBL12015274 0.83 LMNA (0.40) EPHX2LMNAACP1
SCHEMBL4273193 0.83 CXCR3 (0.46) EPHX2CXCR3NAMPTGAARHOC

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 3 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
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 2678/4885NAMPT 3305/4885

“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.