SCHEMBL4270399

SCHEMBL4270399

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.49
ALDH1A1 P00352 3/20 0.49
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
CHRM1 P11229 5/20 0.44
CACNA2D1 P54289 2/20 0.41
CACNA1B Q00975 2/20 0.41
CACNB1 Q02641 2/20 0.41
CACNA1C Q13936 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL4273028 0.83 CACNA2D1 (0.62) CHRM3ALDH1A1CHRM1CACNA2D1CACNA1B
SCHEMBL4278770 0.79 CHRM3 (0.46) CHRM3CHRM1CACNA2D1CACNA1BCACNB1
SCHEMBL4279752 0.78 CACNA2D1 (0.66) CHRM3CHRM1CACNA2D1CACNA1BCACNB1
SCHEMBL4278107 0.77 KMT2A (0.60) ALDH1A1CNR1CNR2CACNA2D1CACNA1B
SCHEMBL11892988 0.77 ALDH1A1 (0.81) CHRM3ALDH1A1CNR1CNR2CHRM1
SCHEMBL4278754 0.76 HSD11B1 (0.47) CHRM3ALDH1A1CHRM1NPSR1KMT2A
SCHEMBL4272736 0.74 CACNA2D1 (0.49) CHRM3ALDH1A1CNR1CNR2CACNA2D1
SCHEMBL2796224 0.73 CACNA2D1 (0.56) CHRM3ALDH1A1CNR1CNR2CACNA2D1
SCHEMBL4273992 0.72 CACNA2D1 (0.61) ALDH1A1CNR1CNR2CACNA2D1CACNA1B
SCHEMBL2796736 0.72 TDP1 (0.66) ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C

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 124/4885ALDH1A1 3323/4885CNR1 69/4885

“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.