SCHEMBL6863316

SCHEMBL6863316

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 4/20 0.46
USP30 Q70CQ3 1/20 0.44
KCNH2 Q12809 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
BRD4 O60885 1/20 0.41
EPHX1 P07099 2/20 0.40
PAK3 O75914 1/20 0.39
PAK1 Q13153 1/20 0.39
PAK2 Q13177 1/20 0.39
GAA P10253 1/20 0.39
CACNA1G O43497 4/20 0.39
CACNA1H O95180 4/20 0.39
CACNA1B Q00975 1/20 0.39
EPHX2 P34913 2/20 0.39
CNR1 P21554 1/20 0.39
RHOC P08134 1/20 0.38
RHOA P61586 1/20 0.38
MAPT P10636 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
SCHEMBL6863377 1.00 CXCR3 (0.46) CXCR3USP30KCNH2CACNA1IBRD4
SCHEMBL12015265 0.87 EPHX2 (0.46) CXCR3PAK1GAACACNA1GCACNA1H
SCHEMBL6863390 0.87 EPHX2 (0.46) CXCR3PAK1GAACACNA1GCACNA1H
SCHEMBL6863439 0.87 EPHX2 (0.46) CXCR3PAK1GAACACNA1GCACNA1H
SCHEMBL6863159 0.87 EPHX2 (0.46) CXCR3PAK1GAACACNA1GCACNA1H
SCHEMBL6863102 0.87 EPHX2 (0.46) CXCR3PAK1GAACACNA1GCACNA1H
SCHEMBL12004714 0.87 EPHX2 (0.46) CXCR3PAK1GAACACNA1GCACNA1H
SCHEMBL6863799 0.86 CXCR3 (0.47) CXCR3USP30KCNH2CACNA1IBRD4
SCHEMBL12014279 0.86 KCNH2 (0.56) KCNH2CACNA1ICACNA1GCACNA1HCACNA1B
SCHEMBL6864207 0.86 KCNH2 (0.56) KCNH2CACNA1ICACNA1GCACNA1HCACNA1B

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 2678/4885USP30 4181/4885KCNH2 51/4885

“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.