SCHEMBL5079974

SCHEMBL5079974

CN(C)CCCN1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 12/20 0.58
▸ CACNA1B Q00975 12/20 0.58
▸ CACNB1 Q02641 12/20 0.58
▸ CACNA1C Q13936 10/20 0.58
▸ CACNA1H O95180 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.52
▸ CACNA1G O43497 3/20 0.49

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
SCHEMBL3864848 0.83 CHRM3 (0.62) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL8268617 0.82 SIGMAR1 (0.69) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL5026283 0.81 CACNA2D1 (0.58) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL26330969 0.80 CACNA2D1 (0.81) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL3397435 0.80 HTT (0.69) CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL8268615 0.79 CACNA2D1 (0.71) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL3866919 0.77 DRD4 (0.57) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL5076784 0.77 CACNA2D1 (0.55) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL3862189 0.76 CACNA2D1 (0.66) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL3889041 0.75 CACNA2D1 (0.57) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186726-B2 Preferentially substituted calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-03-06 — — US claimed
US-20040147529-A1 Preferentially substituted calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2004-07-29 — — US claimed
US-20080300262-A1 Combination Therapy for Relief of Pain ZALICUS PHARMACEUTICALS LTD. (CA) 2008-12-04 — — US disclosed
US-7186726-B2 Preferentially substituted calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-03-06 — — US disclosed
US-20040147529-A1 Preferentially substituted calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2004-07-29 — — 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 (2 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-20040147529-A1 Preferentially substituted calcium channel blockers CACNA1B, CACNA1C, CACNA1D CACNA2D1 36/4885CACNA1B 1/4885CACNB1 13/4885
US-20080300262-A1 Combination Therapy for Relief of Pain CACNA1B, TRPV1, ORAI1 CACNA2D1 90/4885CACNA1B 1/4885CACNB1 4/4885

“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.

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