SCHEMBL4278766

SCHEMBL4278766

CN1CCC(C(C)(c2ccccc2)N2CCN(C(=O)C(C)(N)C(c3ccccc3)c3ccccc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.46
CACNA2D1 P54289 4/20 0.40
CACNA1B Q00975 4/20 0.40
CACNB1 Q02641 4/20 0.40
CACNA1C Q13936 4/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM1 P11229 4/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM2 P08172 1/20 0.36

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
SCHEMBL4270394 0.81 ALDH1A1 (0.49) CHRM3CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4273020 0.81 CACNA2D1 (0.62) CHRM3CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3393147 0.80 CACNA2D1 (0.50) CHRM3CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4278770 0.77 CHRM3 (0.46) CHRM3CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL3397463 0.77 GPR119 (0.50) CHRM3MEN1KMT2A
SCHEMBL4278763 0.76 CACNA2D1 (0.47) CHRM3CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4279749 0.76 CACNA2D1 (0.66) CHRM3CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4278102 0.73 KMT2A (0.72) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL4278749 0.72 HSD11B1 (0.47) CHRM3MEN1KMT2ACHRM1CHRM5
SCHEMBL3394413 0.70 MEN1 (0.41) CHRM3MEN1KMT2ACHRM1CHRM4

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 124/4885CACNA2D1 45/4885CACNA1B 5/4885

“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.