SCHEMBL6863428

SCHEMBL6863428

CC(C)(C)OC(=O)N1CC(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.48
STS P08842 1/20 0.47
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.44
ACP1 P24666 1/20 0.44
NAMPT P43490 1/20 0.43
GLS O94925 1/20 0.42
CXCR3 P49682 2/20 0.41
CETP P11597 1/20 0.41
TGFBR1 P36897 1/20 0.41
NR1H2 P55055 1/20 0.41

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 0.91 STS (0.52) TACR1STSMAPTGLSCXCR3
SCHEMBL6863335 0.88 STS (0.56) TACR1STSMAPTGLSCXCR3
SCHEMBL26087546 0.85 LMNA (0.45) MAPTLMNANAMPTGLSCETP
SCHEMBL15844466 0.82 TACR1 (0.44) TACR1STSMAPTNAMPTGLS
SCHEMBL1444731 0.81 LMNA (0.50) TACR1MAPTLMNAALDH1A1ACP1
SCHEMBL6864244 0.81 LMNA (0.45) TACR1MAPTLMNAALDH1A1ACP1
SCHEMBL1441503 0.80 MAPT (0.53) TACR1STSMAPTLMNAALDH1A1
SCHEMBL6863055 0.80 CACNA1H (0.52) TACR1MAPTLMNAALDH1A1ACP1
SCHEMBL26090247 0.79 PRMT5 (0.46) NAMPT
SCHEMBL26090562 0.79 CACNA1H (0.46) NAMPTGLSNR1H2

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 TACR1 441/4885STS 4843/4885MAPT 985/4885

“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.