SCHEMBL6863439

SCHEMBL6863439

N[C@H]1CCCC[C@H]1C(=O)N1CCC(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.46
NAMPT P43490 1/20 0.45
RHOC P08134 2/20 0.45
RHOA P61586 2/20 0.45
CXCR3 P49682 2/20 0.44
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
CNR1 P21554 1/20 0.40
ACP1 P24666 1/20 0.40
PAK1 Q13153 1/20 0.39
CACNA1G O43497 4/20 0.39
CACNA1H O95180 4/20 0.39
CACNA1B Q00975 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL12015265 1.00 EPHX2 (0.46) EPHX2NAMPTRHOCRHOACXCR3
SCHEMBL12004714 1.00 EPHX2 (0.46) EPHX2NAMPTRHOCRHOACXCR3
SCHEMBL6863390 1.00 EPHX2 (0.46) EPHX2NAMPTRHOCRHOACXCR3
SCHEMBL6863102 1.00 EPHX2 (0.46) EPHX2NAMPTRHOCRHOACXCR3
SCHEMBL6863159 1.00 EPHX2 (0.46) EPHX2NAMPTRHOCRHOACXCR3
SCHEMBL6862109 0.94 ACP1 (0.46) EPHX2NAMPTRHOCRHOACXCR3
SCHEMBL12006118 0.94 ACP1 (0.46) EPHX2NAMPTRHOCRHOACXCR3
SCHEMBL12006119 0.94 ACP1 (0.46) EPHX2NAMPTRHOCRHOACXCR3
SCHEMBL6864138 0.94 RHOC (0.43) EPHX2NAMPTRHOCRHOACXCR3
SCHEMBL6863915 0.94 RHOC (0.43) EPHX2NAMPTRHOCRHOACXCR3

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 3610/4885NAMPT 3305/4885RHOC 1928/4885

“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.