SCHEMBL5026259

SCHEMBL5026259

C[Si](C)(C)c1ccc(N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 11/20 0.56
CACNA1B Q00975 11/20 0.56
CACNB1 Q02641 11/20 0.56
CACNA1C Q13936 11/20 0.56
CACNA1H O95180 1/20 0.56
CACNA1G O43497 3/20 0.49
CACNA1A O00555 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 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
SCHEMBL3860597 0.84 CACNA2D1 (0.61) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL26330969 0.80 CACNA2D1 (0.81) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL5023627 0.80 CACNA2D1 (0.56) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL14606169 0.79 CACNA2D1 (0.61) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL3860661 0.78 CACNA2D1 (0.62) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL5024628 0.77 CACNA2D1 (0.70) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL8268615 0.76 CACNA2D1 (0.71) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL5079984 0.75 CACNA2D1 (0.73) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1H
SCHEMBL14444869 0.75 KDM4E (0.75) ALDH1A1HPGDLMNAMAPTNPSR1
SCHEMBL5076791 0.74 CACNA2D1 (0.75) 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
EP-1871372-A1 COMBINATION THERAPY COMPRISING AN N-TYPE CALCIUM CHANNEL BLOCKER FOR THE ALLEVIATION OF PAIN Neuromed Pharmaceuticals, Ltd. (CA) 2008-01-02 EP disclosed
WO-2006105670-A1 COMBINATION THERAPY COMPRISING AN N-TYPE CALCIUM CHANNEL BLOCKER FOR THE ALLEVIATION OF PAIN NEUROMED PHARMACEUTICALS LTD. (CA) 2006-10-12 WO 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.