SCHEMBL12014289

SCHEMBL12014289

NC1(CC(=O)N2CCC(COC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.46
EPHX2 P34913 2/20 0.42
CXCR3 P49682 4/20 0.40
GAA P10253 1/20 0.39
BCHE P06276 3/20 0.37
HDAC3 O15379 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 3/20 0.37
MAOB P27338 2/20 0.37
ACHE P22303 1/20 0.37
SLC13A3 Q8WWT9 1/20 0.37
RHOA P61586 3/20 0.37
RHOC P08134 2/20 0.37
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 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
SCHEMBL6863510 0.87 EPHX2 (0.45) EPHX2CXCR3GAARHOARHOC
SCHEMBL6862576 0.85 EPHX2 (0.44) EPHX2CXCR3GAARHOARHOC
SCHEMBL6863997 0.84 EPHX2 (0.47) EPHX2CXCR3GAARHOARHOC
SCHEMBL6863250 0.82 EPHX2 (0.62) EPHX2CXCR3
SCHEMBL12014293 0.81 CXCR3 (0.46) MGLLEPHX2CXCR3BCHEHDAC3
SCHEMBL12005298 0.78 S1PR2 (0.44) EPHX2
SCHEMBL12015274 0.77 LMNA (0.40) EPHX2
SCHEMBL12014292 0.75 EPHX2 (0.42) MGLLEPHX2CXCR3BCHEHDAC3
SCHEMBL12014291 0.74 MGLL (0.46) MGLLCXCR3GAABCHEMAOB
SCHEMBL4279051 0.74 CXCR3 (0.44) EPHX2CXCR3GAARHOARHOC

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 MGLL 1142/4885EPHX2 3610/4885CXCR3 2678/4885

“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.