SCHEMBL6864334

SCHEMBL6864334

CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 4/20 0.62
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
EPHX2 P34913 11/20 0.58
EPHX1 P07099 1/20 0.57
STS P08842 1/20 0.56
MEN1 O00255 1/20 0.52
UBE2M P61081 1/20 0.52
KMT2A Q03164 1/20 0.52
DCUN1D1 Q96GG9 1/20 0.52

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
SCHEMBL14072821 0.89 EPHX2 (0.75) CXCR3CA12CA1CA2CA9
SCHEMBL2718126 0.89 EPHX2 (0.73) CA12CA1CA2CA9EPHX2
SCHEMBL1443815 0.84 KDM4E (0.54) CXCR3STS
SCHEMBL1444668 0.82 CXCR3 (0.62) CXCR3EPHX2MEN1UBE2MKMT2A
SCHEMBL6863335 0.82 STS (0.56) CXCR3EPHX2STS
SCHEMBL2955532 0.81 CA12 (0.70) CA12CA1CA2CA9EPHX2
SCHEMBL2732584 0.81 CA12 (0.63) CA12CA1CA2CA9EPHX2
SCHEMBL14997508 0.80 CA12 (0.71) CA12CA1CA2CA9EPHX2
SCHEMBL5001323 0.80 EPHX2 (0.68) CA12CA1CA2CA9EPHX2
SCHEMBL14997957 0.80 EPHX2 (0.76) CA12CA1CA2CA9EPHX2

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 2678/4885CA12 2320/4885CA1 397/4885

“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.