SCHEMBL12005199

SCHEMBL12005199

NC1CCCCC1C(=O)N1CCC(CC(=O)Nc2cc(F)cc(F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.45
NAMPT P43490 5/20 0.43
SIGMAR1 Q99720 1/20 0.43
MAP4K4 O95819 2/20 0.42
SLC6A9 P48067 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
SLC6A5 Q9Y345 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6865017 1.00 EPHX2 (0.45) EPHX2NAMPTSIGMAR1MAP4K4SLC6A9
SCHEMBL12005197 1.00 EPHX2 (0.45) EPHX2NAMPTSIGMAR1MAP4K4SLC6A9
SCHEMBL12005815 0.89 NAMPT (0.51) EPHX2NAMPTSIGMAR1NPC1RAB9A
SCHEMBL12005814 0.89 NAMPT (0.51) EPHX2NAMPTSIGMAR1NPC1RAB9A
SCHEMBL6863597 0.89 NAMPT (0.51) EPHX2NAMPTSIGMAR1NPC1RAB9A
SCHEMBL6863439 0.87 EPHX2 (0.46) EPHX2NAMPT
SCHEMBL12015265 0.87 EPHX2 (0.46) EPHX2NAMPT
SCHEMBL6863159 0.87 EPHX2 (0.46) EPHX2NAMPT
SCHEMBL12004714 0.87 EPHX2 (0.46) EPHX2NAMPT
SCHEMBL6863390 0.87 EPHX2 (0.46) EPHX2NAMPT

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 1 patent. 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

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 3610/4885NAMPT 3305/4885SIGMAR1 1667/4885

“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.