SCHEMBL12005261

SCHEMBL12005261

NC1CCCCC1C(=O)N1CCC(CC(=O)Nc2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
DEGS1 O15121 5/20 0.46
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGS1 P23219 1/20 0.42
USP30 Q70CQ3 2/20 0.41
LIPE Q05469 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
DPP4 P27487 1/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
NAMPT P43490 1/20 0.41
FGFR4 P22455 1/20 0.40
GCK P35557 1/20 0.40

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
SCHEMBL12005260 1.00 EPHX2 (0.46) EPHX2DEGS1NPC1ALDH1A1RAB9A
SCHEMBL6863167 1.00 EPHX2 (0.46) EPHX2DEGS1NPC1ALDH1A1RAB9A
SCHEMBL6862768 0.87 USP30 (0.58) EPHX2NPC1RAB9ASMN1; SMN2USP30
SCHEMBL12004494 0.87 USP30 (0.58) EPHX2NPC1RAB9ASMN1; SMN2USP30
SCHEMBL12004497 0.87 USP30 (0.58) EPHX2NPC1RAB9ASMN1; SMN2USP30
SCHEMBL6862613 0.83 KCNH2 (0.43) EPHX2DEGS1USP30NAMPT
SCHEMBL12006299 0.83 KCNH2 (0.43) EPHX2DEGS1USP30NAMPT
SCHEMBL12006298 0.83 KCNH2 (0.43) EPHX2DEGS1USP30NAMPT
SCHEMBL6863159 0.82 EPHX2 (0.46) EPHX2ALDH1A1NAMPT
SCHEMBL6863439 0.82 EPHX2 (0.46) EPHX2ALDH1A1NAMPT

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 3610/4885DEGS1 324/4885NPC1 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.