SCHEMBL6862181

SCHEMBL6862181

N[C@H]1CCCC[C@@H]1C(=O)N1CCC(CC(=O)Nc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.47
EPHX2 P34913 5/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NAMPT P43490 1/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 3/20 0.46
UBE2M P61081 1/20 0.46
DCUN1D1 Q96GG9 1/20 0.46
NPC1 O15118 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
XBP1 P17861 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL12005400 1.00 GAA (0.54) GAAL3MBTL1EPHX2MEN1KMT2A
SCHEMBL12005401 1.00 GAA (0.54) GAAL3MBTL1EPHX2MEN1KMT2A
SCHEMBL12015265 0.90 EPHX2 (0.46) GAAEPHX2NAMPTALDH1A1
SCHEMBL6863102 0.90 EPHX2 (0.46) GAAEPHX2NAMPTALDH1A1
SCHEMBL6863439 0.90 EPHX2 (0.46) GAAEPHX2NAMPTALDH1A1
SCHEMBL6863390 0.90 EPHX2 (0.46) GAAEPHX2NAMPTALDH1A1
SCHEMBL6863159 0.90 EPHX2 (0.46) GAAEPHX2NAMPTALDH1A1
SCHEMBL12004714 0.90 EPHX2 (0.46) GAAEPHX2NAMPTALDH1A1
SCHEMBL12006119 0.86 ACP1 (0.46) GAAEPHX2MEN1KMT2ANAMPT
SCHEMBL12006118 0.86 ACP1 (0.46) GAAEPHX2MEN1KMT2ANAMPT

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 2 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
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 GAA 1419/4885L3MBTL1 1312/4885EPHX2 3610/4885

“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.