SCHEMBL6862613

SCHEMBL6862613

N[C@H]1CCCC[C@@H]1C(=O)N1CCC(CC(=O)Nc2cccc(C(F)(F)F)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
SYK P43405 1/20 0.43
USP30 Q70CQ3 2/20 0.38
EPHX2 P34913 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HSD11B1 P28845 1/20 0.37
CNR1 P21554 1/20 0.37
IRAK4 Q9NWZ3 3/20 0.36
DEGS1 O15121 1/20 0.36
CSNK1D P48730 1/20 0.36
BTK Q06187 1/20 0.36
ACKR3 P25106 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
NAMPT P43490 1/20 0.36
GAA P10253 1/20 0.36
KCNJ11 Q14654 1/20 0.35

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
SCHEMBL12006299 1.00 KCNH2 (0.43) KCNH2SYKUSP30EPHX2CYP3A4
SCHEMBL12006298 1.00 KCNH2 (0.43) KCNH2SYKUSP30EPHX2CYP3A4
SCHEMBL6863167 0.83 EPHX2 (0.46) USP30EPHX2DEGS1NAMPT
SCHEMBL12005260 0.83 EPHX2 (0.46) USP30EPHX2DEGS1NAMPT
SCHEMBL12005261 0.83 EPHX2 (0.46) USP30EPHX2DEGS1NAMPT
SCHEMBL6863459 0.82 USP30 (0.59) USP30EPHX2NAMPT
SCHEMBL12005313 0.82 USP30 (0.59) USP30EPHX2NAMPT
SCHEMBL12005312 0.82 USP30 (0.59) USP30EPHX2NAMPT
SCHEMBL6862768 0.81 USP30 (0.58) SYKUSP30EPHX2CSNK1DBTK
SCHEMBL12004494 0.81 USP30 (0.58) SYKUSP30EPHX2CSNK1DBTK

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 KCNH2 51/4885SYK 3414/4885USP30 4181/4885

“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.