SCHEMBL6863673

SCHEMBL6863673

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.44
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NAMPT P43490 4/20 0.42
USP30 Q70CQ3 1/20 0.41
KIF11 P52732 1/20 0.41
RHOC P08134 1/20 0.40
RHOA P61586 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CHKA P35790 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 2/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL12004619 1.00 EPHX2 (0.44) EPHX2KMT2ANPC1RAB9ANAMPT
SCHEMBL12004620 1.00 EPHX2 (0.44) EPHX2KMT2ANPC1RAB9ANAMPT
SCHEMBL6863951 0.86 EPHX2 (0.54) EPHX2KMT2ANPC1RAB9ANAMPT
SCHEMBL12005815 0.85 NAMPT (0.51) EPHX2KMT2ANPC1RAB9ANAMPT
SCHEMBL6863597 0.85 NAMPT (0.51) EPHX2KMT2ANPC1RAB9ANAMPT
SCHEMBL12005814 0.85 NAMPT (0.51) EPHX2KMT2ANPC1RAB9ANAMPT
SCHEMBL12005312 0.85 USP30 (0.59) EPHX2KMT2ANPC1RAB9ANAMPT
SCHEMBL12005313 0.85 USP30 (0.59) EPHX2KMT2ANPC1RAB9ANAMPT
SCHEMBL6863459 0.85 USP30 (0.59) EPHX2KMT2ANPC1RAB9ANAMPT
SCHEMBL12006366 0.83 EPHX2 (0.61) EPHX2KMT2AL3MBTL1TDP1

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 3610/4885KMT2A 3019/4885NPC1 910/4885

“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.