SCHEMBL4278770

SCHEMBL4278770

CNC(C(=O)N1CCN(C(C)(c2ccccc2)C2CCN(C)CC2)CC1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.46
CHRM1 P11229 5/20 0.39
CACNA2D1 P54289 2/20 0.39
CACNA1B Q00975 2/20 0.39
CACNB1 Q02641 2/20 0.39
CACNA1C Q13936 2/20 0.39

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
SCHEMBL3393147 0.80 CACNA2D1 (0.50) CHRM3CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4270399 0.79 CHRM3 (0.49) CHRM3CHRM1CACNA2D1CACNA1BCACNB1
SCHEMBL4273028 0.79 CACNA2D1 (0.62) CHRM3CHRM1CACNA2D1CACNA1BCACNB1
SCHEMBL4278766 0.77 CHRM3 (0.46) CHRM3CHRM1CACNA2D1CACNA1BCACNB1
SCHEMBL3397463 0.75 GPR119 (0.50) CHRM3
SCHEMBL4278763 0.75 CACNA2D1 (0.47) CHRM3CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4279752 0.74 CACNA2D1 (0.66) CHRM3CHRM1CACNA2D1CACNA1BCACNB1
SCHEMBL4278107 0.71 KMT2A (0.60) CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4278754 0.70 HSD11B1 (0.47) CHRM3CHRM1
SCHEMBL3394413 0.69 MEN1 (0.41) CHRM3CHRM1

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 CHRM3 124/4885CHRM1 167/4885CACNA2D1 45/4885

“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.