SCHEMBL4279744

SCHEMBL4279744

CN1CCC(C(c2ccc(F)cc2)N2CCN(C(=O)CN(C)C(c3ccccc3)c3ccccc3)CC2)CC1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 10/20 0.77
CACNA1B Q00975 10/20 0.77
CACNB1 Q02641 10/20 0.77
CACNA1C Q13936 7/20 0.77
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL4273022 0.94 CACNA2D1 (0.74) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL2797186 0.83 CACNA2D1 (0.92) CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4273004 0.82 CACNA2D1 (0.70) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL5050444 0.80 CACNA2D1 (0.54) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL5017461 0.79 CACNA2D1 (0.85) CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4270388 0.78 CACNA2D1 (0.51) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL3394375 0.78 CACNA2D1 (0.70) CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL2793294 0.77 CACNA1B (0.74) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL13701483 0.77 CACNA2D1 (0.73) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL2790454 0.76 CACNA2D1 (0.91) CACNA2D1CACNA1BCACNB1CACNA1C

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 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.