SCHEMBL5268034

SCHEMBL5268034

O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 1.00
GAA P10253 1/20 0.58
CACNA2D1 P54289 3/20 0.58
CACNA1B Q00975 3/20 0.58
CACNB1 Q02641 3/20 0.58
CACNA1C Q13936 3/20 0.58
CACNA1H O95180 1/20 0.58
NPSR1 Q6W5P4 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 1/20 0.52

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
SCHEMBL5267462 0.87 CACNA1G (0.77) CACNA1GCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL5265839 0.86 CACNA1G (0.75) CACNA1GCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL5265417 0.86 CACNA1G (0.75) CACNA1GCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL8429638 0.85 CACNA1G (0.73) CACNA1GCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL26330969 0.82 CACNA2D1 (0.81) CACNA1GCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL28804531 0.80 CACNA1G (0.67) CACNA1GGAANPSR1LMNA
SCHEMBL7394034 0.80 CACNA1G (0.66) CACNA1GGAANPSR1LMNA
SCHEMBL3859810 0.77 KDM4E (0.64) CACNA1GCACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL21440782 0.76 NPSR1 (0.63) CACNA1GGAANPSR1
SCHEMBL8268615 0.75 CACNA2D1 (0.71) CACNA1GCACNA2D1CACNA1BCACNB1CACNA1C

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
EP-1610792-B1 CALCIUM CHANNEL BLOCKERS COMPRISING TWO BENZHYDRIL MOIETIES NEUROMED TECH INC (CA) 2007-10-10 EP claimed
EP-1610792-B1 CALCIUM CHANNEL BLOCKERS COMPRISING TWO BENZHYDRIL MOIETIES NEUROMED TECH INC (CA) 2007-10-10 EP disclosed
US-20060084660-A1 Psychological disorders; analgesics; Parkinson's disease; antiepileptic agents; irritable bowel disorders; antiarrhythmia agents NEUROMED TECHNOLOGIES INC. 2006-04-20 US disclosed
US-20040259866-A1 Calcium channel blockers comprising two benzhydril moieties ZALICUS PHARMACEUTICALS LTD. (CA) 2004-12-23 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-20060084660-A1 Psychological disorders; analgesics; Parkinson's disease; antiepileptic agents; irritable bowel disorders; antiarrhythmia agents CACNA1D, CACNA1E, CACNA1B CACNA1G 14/4885GAA 566/4885CACNA2D1 21/4885
US-20040259866-A1 Calcium channel blockers comprising two benzhydril moieties CACNA1C, CACNA1F, CACNA1D CACNA1G 5/4885GAA 1331/4885CACNA2D1 41/4885

“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.