SCHEMBL6863165

SCHEMBL6863165

CC(C)(N)CC(=O)N1CCC(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.47
CACNA1H O95180 1/20 0.46
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.41
EPHX2 P34913 5/20 0.40
RHOC P08134 2/20 0.40
RHOA P61586 2/20 0.40
KCNH2 Q12809 2/20 0.40
CACNA1I Q9P0X4 1/20 0.40
ACP1 P24666 1/20 0.40
USP30 Q70CQ3 2/20 0.40
NAMPT P43490 1/20 0.39
GAA P10253 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
SCHEMBL6862660 0.94 CXCR3 (0.48) CXCR3CACNA1HALDH1A1LMNAEPHX2
SCHEMBL6863055 0.91 CACNA1H (0.52) CXCR3CACNA1HALDH1A1LMNARHOC
SCHEMBL6862582 0.87 CXCR3 (0.47) CXCR3CACNA1HALDH1A1LMNAEPHX2
SCHEMBL12005795 0.84 CXCR3 (0.50) CXCR3ALDH1A1LMNAEPHX2RHOC
SCHEMBL4277997 0.82 CXCR3 (0.55) CXCR3ALDH1A1LMNAEPHX2RHOC
SCHEMBL1444654 0.82 STS (0.52) CXCR3EPHX2RHOCRHOA
SCHEMBL12014293 0.81 CXCR3 (0.46) CXCR3CACNA1HEPHX2RHOCRHOA
SCHEMBL12004810 0.81 CXCR3 (0.53) CXCR3ALDH1A1LMNAEPHX2RHOC
SCHEMBL4278127 0.79 CXCR3 (0.56) CXCR3ALDH1A1LMNAEPHX2RHOC
SCHEMBL1445327 0.78 LMNA (0.52) CXCR3ALDH1A1LMNAEPHX2RHOC

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 CXCR3 2678/4885CACNA1H 3/4885ALDH1A1 2690/4885

“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.