SCHEMBL8446337

SCHEMBL8446337

COc1ccc(C(c2ccc3c(c2)OCO3)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 12/20 0.77
CACNB1 Q02641 12/20 0.77
CACNA1B Q00975 11/20 0.77
CACNA1C Q13936 10/20 0.77
CACNA1G O43497 3/20 0.77
CACNA1A O00555 1/20 0.67
KMT2A Q03164 2/20 0.61
CACNA1H O95180 1/20 0.60
GAA P10253 1/20 0.59
MEN1 O00255 1/20 0.56

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
SCHEMBL5267438 0.92 CACNA2D1 (0.70) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL8429637 0.88 CACNA2D1 (0.65) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5265363 0.88 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL8427763 0.88 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5267046 0.81 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL13569213 0.81 CACNA2D1 (0.85) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL4179716 0.80 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL5549190 0.78 CACNA2D1 (0.73) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
SCHEMBL8470019 0.78 CACNA2D1 (0.87) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G
Z160 SCHEMBL4180792 0.77 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20040209872-A1 Calcium channel blockers comprising two benzhydril moieties ZALICUS PHARMACEUTICALS LTD. (CA) 2004-10-21 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-20040209872-A1 Calcium channel blockers comprising two benzhydril moieties CACNA1C, CACNA1F, CACNA1D CACNA2D1 41/4885CACNB1 14/4885CACNA1B 4/4885
US-20060084660-A1 Psychological disorders; analgesics; Parkinson's disease; antiepileptic agents; irritable bowel disorders; antiarrhythmia agents CACNA1D, CACNA1E, CACNA1B CACNA2D1 21/4885CACNB1 36/4885CACNA1B 3/4885

“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.