SCHEMBL4273013

SCHEMBL4273013

CNC(C(=O)N1CCN(C(c2ccccc2)c2ccc(F)cc2)CC1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 5/20 0.58
CACNA1B Q00975 5/20 0.58
CACNB1 Q02641 5/20 0.58
CACNA1C Q13936 5/20 0.58
KMT2A Q03164 4/20 0.52
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 2/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49
MAOB P27338 1/20 0.48
DPP8 Q6V1X1 2/20 0.47
DPP7 Q9UHL4 1/20 0.47
FAP Q12884 1/20 0.47
DPP9 Q86TI2 1/20 0.47
FAAH O00519 1/20 0.47
MGLL Q99685 1/20 0.47

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
SCHEMBL4278107 0.93 KMT2A (0.60) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL4273985 0.88 CACNA2D1 (0.60) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL4286421 0.83 CACNA2D1 (0.62) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL4279752 0.82 CACNA2D1 (0.66) CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4273992 0.81 CACNA2D1 (0.61) CACNA2D1CACNA1BCACNB1CACNA1CMAPT
SCHEMBL31023878 0.74 CACNA2D1 (0.65) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL31350717 0.74 MAOB (0.80) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL4273028 0.74 CACNA2D1 (0.62) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL5264907 0.74 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1A
SCHEMBL29321595 0.73 KMT2A (0.71) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A

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 4 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

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 CACNA2D1 45/4885CACNA1B 5/4885CACNB1 18/4885

“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.