SCHEMBL12014292

SCHEMBL12014292

CC(C)CC(CN)CC(=O)N1CCC(COC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.42
CXCR3 P49682 2/20 0.41
MGLL Q99685 1/20 0.40
HDAC1 Q13547 5/20 0.39
HDAC2 Q92769 5/20 0.39
HDAC3 O15379 4/20 0.39
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1C Q13936 1/20 0.38
BCHE P06276 3/20 0.38
MAOB P27338 2/20 0.38
ACHE P22303 3/20 0.37
ALDH1A1 P00352 1/20 0.36
MC4R P32245 2/20 0.35
SLC13A3 Q8WWT9 1/20 0.35
RHOC P08134 1/20 0.35
RHOA P61586 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
SCHEMBL12014293 0.80 CXCR3 (0.46) EPHX2CXCR3MGLLHDAC1HDAC2
SCHEMBL12014289 0.75 MGLL (0.46) EPHX2CXCR3MGLLHDAC1HDAC2
SCHEMBL12014291 0.70 MGLL (0.46) CXCR3MGLLBCHEMAOBACHE
SCHEMBL28460719 0.68 EPHX2 (0.69) EPHX2
SCHEMBL24126664 0.68 EPHX2 (0.69) EPHX2
SCHEMBL28461047 0.68 EPHX2 (0.68) EPHX2
SCHEMBL24125661 0.68 CACNA2D1 (0.49) CACNA1BCACNA1CALDH1A1
SCHEMBL28455321 0.67 EPHX2 (0.71) EPHX2
SCHEMBL28455114 0.66 EPHX2 (0.67) EPHX2
SCHEMBL6862660 0.66 CXCR3 (0.48) EPHX2CXCR3CACNA1HALDH1A1RHOC

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
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 3610/4885CXCR3 2678/4885MGLL 1142/4885

“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.