SCHEMBL4277286

SCHEMBL4277286

O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.68
MAPT P10636 1/20 0.68
ALOX12 P18054 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
HTT P42858 2/20 0.66
TSHR P16473 2/20 0.65
GAA P10253 1/20 0.65
HPGD P15428 1/20 0.65
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
CACNA2D1 P54289 8/20 0.61
CACNB1 Q02641 8/20 0.61
CACNA1B Q00975 7/20 0.61
CACNA1C Q13936 4/20 0.61
CACNA1G O43497 3/20 0.61
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
KMT2A Q03164 1/20 0.61
ENPP2 Q13822 2/20 0.60
NPC1 O15118 1/20 0.58

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
SCHEMBL19231623 0.83 SMN1; SMN2 (0.74) NPSR1MAPTALOX12SMN1; SMN2HTT
SCHEMBL7665618 0.81 NPC1 (0.78) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL31329301 0.80 HTT (1.00) NPSR1MAPTALOX12SMN1; SMN2HTT
SCHEMBL15134824 0.79 SMN1; SMN2 (0.80) NPSR1MAPTALOX12SMN1; SMN2HTT
SCHEMBL1446803 0.78 NPC1 (0.85) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL1446552 0.78 NPC1 (0.85) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL15337749 0.77 SMN1; SMN2 (0.76) NPSR1MAPTALOX12SMN1; SMN2HTT
SCHEMBL655032 0.77 HTT (0.78) NPSR1MAPTALOX12SMN1; SMN2HTT
SCHEMBL15703692 0.77 NPC1 (0.71) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL1446717 0.77 NPC1 (0.71) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 US claimed
EP-1976841-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2008-10-08 EP claimed
WO-2007071035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-06-28 WO claimed
US-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 US disclosed
US-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 US disclosed
US-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 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-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS RYR2, CACNA1E, RYR1 NPSR1 175/4885MAPT 3601/4885ALOX12 2455/4885

“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.