SCHEMBL6862768

SCHEMBL6862768

N[C@H]1CCCC[C@@H]1C(=O)N1CCC(CC(=O)Nc2cc(C(F)(F)F)ccn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.58
BTK Q06187 5/20 0.42
RIOK2 Q9BVS4 1/20 0.42
NAMPT P43490 1/20 0.41
SYK P43405 3/20 0.40
CSNK1D P48730 1/20 0.40
EPHX2 P34913 1/20 0.40
MAP3K12 Q12852 4/20 0.40
FFAR4 Q5NUL3 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HCRTR1 O43613 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
SCHEMBL12004494 1.00 USP30 (0.58) USP30BTKRIOK2NAMPTSYK
SCHEMBL12004497 1.00 USP30 (0.58) USP30BTKRIOK2NAMPTSYK
SCHEMBL12005261 0.87 EPHX2 (0.46) USP30NAMPTEPHX2NPC1RAB9A
SCHEMBL6863167 0.87 EPHX2 (0.46) USP30NAMPTEPHX2NPC1RAB9A
SCHEMBL12005260 0.87 EPHX2 (0.46) USP30NAMPTEPHX2NPC1RAB9A
SCHEMBL12005400 0.83 GAA (0.54) NAMPTEPHX2MEN1NPC1TP53
SCHEMBL12005401 0.83 GAA (0.54) NAMPTEPHX2MEN1NPC1TP53
SCHEMBL6862181 0.83 GAA (0.54) NAMPTEPHX2MEN1NPC1TP53
SCHEMBL6863159 0.82 EPHX2 (0.46) NAMPTEPHX2
SCHEMBL6863390 0.82 EPHX2 (0.46) NAMPTEPHX2

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 4181/4885BTK 3022/4885RIOK2 3488/4885

“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.