SCHEMBL6863335

SCHEMBL6863335

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.56
GLS O94925 2/20 0.53
TGFBR1 P36897 1/20 0.51
CXCR3 P49682 2/20 0.49
MAPT P10636 1/20 0.49
CETP P11597 1/20 0.49
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
GPR119 Q8TDV5 3/20 0.47
TACR1 P25103 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
YAP1 P46937 1/20 0.46
EPHX2 P34913 2/20 0.46

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
SCHEMBL1444654 0.93 STS (0.52) STSGLSTGFBR1CXCR3MAPT
SCHEMBL6863428 0.88 TACR1 (0.48) STSGLSTGFBR1CXCR3MAPT
SCHEMBL4272965 0.86 HSD17B10 (0.52) STSGLSCXCR3EPHX2
SCHEMBL4272968 0.86 HSD17B10 (0.52) STSGLSCXCR3EPHX2
SCHEMBL4276665 0.86 HSD17B10 (0.52) STSGLSCXCR3EPHX2
SCHEMBL1443815 0.86 KDM4E (0.54) STSTGFBR1CXCR3MAPTPTPN2
SCHEMBL4274713 0.85 HSD17B10 (0.48) STSGLSCXCR3EPHX2
SCHEMBL4276575 0.84 CYP1A2 (0.43) STSGLSTGFBR1CXCR3CETP
SCHEMBL4276573 0.84 CYP1A2 (0.43) STSGLSTGFBR1CXCR3CETP
SCHEMBL4278127 0.84 CXCR3 (0.56) CXCR3MAPTTACR1EPHX2

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 STS 4843/4885GLS 854/4885TGFBR1 3754/4885

“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.