SCHEMBL6863464

SCHEMBL6863464

N[C@H]1CCCC[C@@H]1C(=O)N1CCC(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 16/20 0.61
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 1/20 0.46
EPHX1 P07099 1/20 0.46

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
SCHEMBL12006366 1.00 EPHX2 (0.61) EPHX2KDM4EALDH1A1POLBTDP1
SCHEMBL12006367 1.00 EPHX2 (0.61) EPHX2KDM4EALDH1A1POLBTDP1
SCHEMBL6863597 0.86 NAMPT (0.51) EPHX2KDM4EALDH1A1POLBKMT2A
SCHEMBL12005815 0.86 NAMPT (0.51) EPHX2KDM4EALDH1A1POLBKMT2A
SCHEMBL12005814 0.86 NAMPT (0.51) EPHX2KDM4EALDH1A1POLBKMT2A
SCHEMBL6863673 0.83 EPHX2 (0.44) EPHX2TDP1L3MBTL1KMT2A
SCHEMBL12004620 0.83 EPHX2 (0.44) EPHX2TDP1L3MBTL1KMT2A
SCHEMBL12004619 0.83 EPHX2 (0.44) EPHX2TDP1L3MBTL1KMT2A
SCHEMBL6863390 0.82 EPHX2 (0.46) EPHX2ALDH1A1
SCHEMBL6863159 0.82 EPHX2 (0.46) EPHX2ALDH1A1

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 3610/4885KDM4E 3324/4885ALDH1A1 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.