SCHEMBL6864244

SCHEMBL6864244

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.44
ACP1 P24666 2/20 0.44
CXCR3 P49682 2/20 0.44
MAPT P10636 2/20 0.42
TACR1 P25103 1/20 0.41
THRB P10828 2/20 0.40
NAMPT P43490 1/20 0.40
RHOC P08134 2/20 0.38
RHOA P61586 2/20 0.38
P2RX1 P51575 2/20 0.38
TMPRSS4 Q9NRS4 1/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL12005795 0.91 CXCR3 (0.50) LMNAALDH1A1ACP1CXCR3NAMPT
SCHEMBL12004810 0.90 CXCR3 (0.53) LMNAALDH1A1ACP1CXCR3MAPT
SCHEMBL6863055 0.82 CACNA1H (0.52) LMNAALDH1A1ACP1CXCR3MAPT
SCHEMBL1444731 0.81 LMNA (0.50) LMNAALDH1A1ACP1CXCR3MAPT
SCHEMBL6863428 0.81 TACR1 (0.48) LMNAALDH1A1ACP1CXCR3MAPT
SCHEMBL4277997 0.78 CXCR3 (0.55) LMNAALDH1A1ACP1CXCR3MAPT
SCHEMBL6863165 0.77 CXCR3 (0.47) LMNAALDH1A1ACP1CXCR3NAMPT
SCHEMBL4278127 0.76 CXCR3 (0.56) LMNAALDH1A1ACP1CXCR3MAPT
SCHEMBL1444654 0.75 STS (0.52) CXCR3MAPTTACR1RHOCRHOA
SCHEMBL12004818 0.75 NAMPT (0.44) LMNAALDH1A1ACP1CXCR3MAPT

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 LMNA 847/4885ALDH1A1 2690/4885ACP1 2139/4885

“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.