SCHEMBL6863459

SCHEMBL6863459

N[C@H]1CCCC[C@@H]1C(=O)N1CCC(CC(=O)Nc2ccc(C(F)(F)F)nc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.59
EPHX2 P34913 4/20 0.46
NAMPT P43490 5/20 0.42
TRPV1 Q8NER1 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
FPR2 P25090 3/20 0.40
FPR1 P21462 1/20 0.40
DGAT1 O75907 1/20 0.40
RHOC P08134 1/20 0.40
RHOA P61586 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
DGAT2 Q96PD7 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
SCHEMBL12005312 1.00 USP30 (0.59) USP30EPHX2NAMPTTRPV1HRH3
SCHEMBL12005313 1.00 USP30 (0.59) USP30EPHX2NAMPTTRPV1HRH3
SCHEMBL6863597 0.85 NAMPT (0.51) EPHX2NAMPTNPC1RAB9AKMT2A
SCHEMBL12005814 0.85 NAMPT (0.51) EPHX2NAMPTNPC1RAB9AKMT2A
SCHEMBL12005815 0.85 NAMPT (0.51) EPHX2NAMPTNPC1RAB9AKMT2A
SCHEMBL6863673 0.85 EPHX2 (0.44) USP30EPHX2NAMPTRHOCRHOA
SCHEMBL12004619 0.85 EPHX2 (0.44) USP30EPHX2NAMPTRHOCRHOA
SCHEMBL12004620 0.85 EPHX2 (0.44) USP30EPHX2NAMPTRHOCRHOA
SCHEMBL12004714 0.83 EPHX2 (0.46) EPHX2NAMPTRHOCRHOA
SCHEMBL6863390 0.83 EPHX2 (0.46) EPHX2NAMPTRHOCRHOA

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 USP30 4181/4885EPHX2 3610/4885NAMPT 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.