SCHEMBL6863997

SCHEMBL6863997

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.47
CXCR3 P49682 5/20 0.45
USP30 Q70CQ3 1/20 0.43
KCNH2 Q12809 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
BRD4 O60885 1/20 0.40
GAA P10253 1/20 0.40
EPHX1 P07099 1/20 0.38
CYP2D6 P10635 1/20 0.38
MCHR1 Q99705 1/20 0.37
RHOC P08134 1/20 0.37
RHOA P61586 1/20 0.37

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
SCHEMBL6863510 0.88 EPHX2 (0.45) EPHX2CXCR3GAARHOCRHOA
SCHEMBL6862576 0.86 EPHX2 (0.44) EPHX2CXCR3GAARHOCRHOA
SCHEMBL6863250 0.86 EPHX2 (0.62) EPHX2CXCR3CYP2D6
SCHEMBL12014289 0.84 MGLL (0.46) EPHX2CXCR3GAARHOCRHOA
SCHEMBL12005298 0.79 S1PR2 (0.44) EPHX2
SCHEMBL12015274 0.78 LMNA (0.40) EPHX2CYP2D6
SCHEMBL14433885 0.77 MAPT (0.55) EPHX2CXCR3USP30KCNH2CACNA1I
SCHEMBL6863316 0.77 CXCR3 (0.46) EPHX2CXCR3USP30KCNH2CACNA1I
SCHEMBL6863377 0.77 CXCR3 (0.46) EPHX2CXCR3USP30KCNH2CACNA1I
SCHEMBL4279051 0.75 CXCR3 (0.44) EPHX2CXCR3GAARHOCRHOA

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 2678/4885USP30 4181/4885

“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.