SCHEMBL4284711

SCHEMBL4284711

CN1CCC(CN2CCN(C(=O)CSC(c3ccccc3)c3ccccc3)CC2)CC1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 4/20 0.71
CACNA1B Q00975 4/20 0.71
CACNB1 Q02641 4/20 0.71
CACNA1C Q13936 2/20 0.71
SLC6A3 Q01959 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2795492 0.95 CACNA2D1 (0.65) CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4273009 0.86 TACR2 (0.56) CACNA2D1CACNA1BCACNB1CACNA1CKDM4E
SCHEMBL3861078 0.83 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1CKDM4E
SCHEMBL4275876 0.81 CACNA2D1 (0.73) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A3
SCHEMBL4286091 0.80 CACNA2D1 (0.71) CACNA2D1CACNA1BCACNB1CACNA1CKDM4E
SCHEMBL8212834 0.79 CACNA2D1 (0.91) CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL13701483 0.79 CACNA2D1 (0.73) CACNA2D1CACNA1BCACNB1CACNA1CKDM4E
SCHEMBL4275822 0.78 CACNA2D1 (0.69) CACNA2D1CACNA1BCACNB1CACNA1CKDM4E
SCHEMBL3394200 0.77 CACNA2D1 (0.67) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A3
SCHEMBL2794421 0.76 CACNA2D1 (0.66) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A3

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
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.