SCHEMBL6863169

SCHEMBL6863169

N[C@H]1CCCC[C@@H]1C(=O)N1CCC(CC(=O)Nc2ccc(F)c(Cl)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
USP30 Q70CQ3 1/20 0.45
IDO1 P14902 1/20 0.44
NAMPT P43490 1/20 0.44

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
SCHEMBL12005322 1.00 EPHX2 (0.49) EPHX2HPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL12005319 1.00 EPHX2 (0.49) EPHX2HPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL12005814 0.86 NAMPT (0.51) EPHX2ALDH1A1SMN1; SMN2NAMPT
SCHEMBL12005815 0.86 NAMPT (0.51) EPHX2ALDH1A1SMN1; SMN2NAMPT
SCHEMBL6863597 0.86 NAMPT (0.51) EPHX2ALDH1A1SMN1; SMN2NAMPT
SCHEMBL1444681 0.86 EPHX2 (0.48) EPHX2ALDH1A1MAPTL3MBTL1USP30
SCHEMBL6862332 0.86 EPHX2 (0.48) EPHX2ALDH1A1MAPTL3MBTL1USP30
SCHEMBL1444682 0.86 EPHX2 (0.48) EPHX2ALDH1A1MAPTL3MBTL1USP30
SCHEMBL6865017 0.83 EPHX2 (0.45) EPHX2HPGDSMN1; SMN2NAMPT
SCHEMBL12005197 0.83 EPHX2 (0.45) EPHX2HPGDSMN1; SMN2NAMPT

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 EPHX2 3610/4885HPGD 2522/4885ALDH1A1 2690/4885

“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.