SCHEMBL6862332

SCHEMBL6862332

N[C@H]1CCCC[C@@H]1C(=O)N1CCC(CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.48
GRM4 Q14833 7/20 0.45
NAMPT P43490 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
USP30 Q70CQ3 1/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL1444682 1.00 EPHX2 (0.48) EPHX2GRM4NAMPTALDH1A1L3MBTL1
SCHEMBL1444681 1.00 EPHX2 (0.48) EPHX2GRM4NAMPTALDH1A1L3MBTL1
SCHEMBL12005197 0.87 EPHX2 (0.45) EPHX2NAMPTKMT2AMEN1NPC1
SCHEMBL12005199 0.87 EPHX2 (0.45) EPHX2NAMPTKMT2AMEN1NPC1
SCHEMBL6865017 0.87 EPHX2 (0.45) EPHX2NAMPTKMT2AMEN1NPC1
SCHEMBL12005319 0.86 EPHX2 (0.49) EPHX2NAMPTALDH1A1L3MBTL1USP30
SCHEMBL12005322 0.86 EPHX2 (0.49) EPHX2NAMPTALDH1A1L3MBTL1USP30
SCHEMBL6863169 0.86 EPHX2 (0.49) EPHX2NAMPTALDH1A1L3MBTL1USP30
SCHEMBL6863390 0.85 EPHX2 (0.46) EPHX2NAMPTALDH1A1
SCHEMBL6863159 0.85 EPHX2 (0.46) EPHX2NAMPTALDH1A1

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 EPHX2 3610/4885GRM4 759/4885NAMPT 3305/4885

“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.