SCHEMBL4275822

SCHEMBL4275822

CN1CCC(CN2CCN(C(=O)C[S+]([O-])C(c3ccccc3)c3ccccc3)CC2)CC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 7/20 0.69
CACNA1B Q00975 7/20 0.69
CACNB1 Q02641 7/20 0.69
CACNA1C Q13936 5/20 0.69
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
TACR2 P21452 1/20 0.42
CHRM1 P11229 2/20 0.41
CHRM3 P20309 3/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
CCR1 P32246 1/20 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
SCHEMBL2791272 0.96 CACNA2D1 (0.62) CACNA2D1CACNA1BCACNB1CACNA1CKDM4E
SCHEMBL4275691 0.87 TACR2 (0.57) CACNA2D1CACNA1BCACNB1CACNA1CKDM4E
SCHEMBL2793486 0.87 CACNA2D1 (0.50) CACNA2D1CACNA1BCACNB1CACNA1CKDM4E
SCHEMBL4277158 0.85 CACNA2D1 (0.52) CACNA2D1CACNA1BCACNB1CACNA1CKDM4E
SCHEMBL2791008 0.82 CACNA2D1 (0.46) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL3861078 0.82 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1CKDM4E
SCHEMBL2796516 0.81 ALDH1A1 (0.46) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL4275876 0.81 CACNA2D1 (0.73) CACNA2D1CACNA1BCACNB1CACNA1CTACR2
SCHEMBL4284711 0.78 CACNA2D1 (0.71) CACNA2D1CACNA1BCACNB1CACNA1CKDM4E
SCHEMBL4286091 0.78 CACNA2D1 (0.71) CACNA2D1CACNA1BCACNB1CACNA1CKDM4E

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.