SCHEMBL6863477

SCHEMBL6863477

O=C(CC1CCN(C(=O)C2CNCCO2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
CXCR3 P49682 2/20 0.41
NAMPT P43490 1/20 0.39
LMNA P02545 1/20 0.38
RHOC P08134 1/20 0.38
RHOA P61586 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
SCHEMBL6862297 0.82 EPHX2 (0.48) EPHX2CXCR3NAMPTLMNARHOC
SCHEMBL4274641 0.78 EPHX2 (0.46) EPHX2CXCR3NAMPTLMNARHOC
SCHEMBL4274644 0.78 EPHX2 (0.46) EPHX2CXCR3NAMPTLMNARHOC
SCHEMBL4282594 0.78 EPHX2 (0.46) EPHX2CXCR3NAMPTLMNARHOC
SCHEMBL1445327 0.77 LMNA (0.52) EPHX2CXCR3NAMPTLMNARHOC
SCHEMBL4279471 0.77 EPHX2 (0.45) EPHX2CXCR3NAMPTLMNARHOC
SCHEMBL4279470 0.77 EPHX2 (0.45) EPHX2CXCR3NAMPTLMNARHOC
SCHEMBL12015290 0.77 EPHX2 (0.45) EPHX2CXCR3NAMPTLMNARHOC
SCHEMBL4274228 0.76 EPHX2 (0.44) EPHX2CXCR3NAMPTLMNARHOC
SCHEMBL1444611 0.76 LMNA (0.50) LMNA

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.