SCHEMBL4187829

SCHEMBL4187829

O=C(O)C1CN(C(c2ccccc2)c2ccccc2)CCN1C(=O)CC(c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 15/20 0.97
CACNB1 Q02641 15/20 0.97
CACNA1C Q13936 11/20 0.97
CACNA1A O00555 4/20 0.97
CACNA1B Q00975 12/20 0.60
CACNA1H O95180 1/20 0.60
CACNA1G O43497 3/20 0.53
SLC6A9 P48067 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
SCHEMBL5268550 0.90 CACNA2D1 (0.80) CACNA2D1CACNB1CACNA1CCACNA1ACACNA1B
SCHEMBL8239769 0.87 CACNA2D1 (0.75) CACNA2D1CACNB1CACNA1CCACNA1ACACNA1B
SCHEMBL4182908 0.85 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1CCACNA1ACACNA1B
SCHEMBL5267208 0.84 CACNA2D1 (0.71) CACNA2D1CACNB1CACNA1CCACNA1ACACNA1B
SCHEMBL8432816 0.84 CACNA2D1 (0.71) CACNA2D1CACNB1CACNA1CCACNA1ACACNA1B
SCHEMBL13569214 0.83 CACNA2D1 (0.70) CACNA2D1CACNB1CACNA1CCACNA1ACACNA1B
SCHEMBL5547414 0.83 CACNA2D1 (0.69) CACNA2D1CACNB1CACNA1CCACNA1ACACNA1B
SCHEMBL5265057 0.81 CACNA2D1 (0.67) CACNA2D1CACNB1CACNA1CCACNA1ACACNA1B
SCHEMBL5270987 0.81 CACNA2D1 (0.67) CACNA2D1CACNB1CACNA1CCACNA1ACACNA1B
SCHEMBL5269185 0.81 CACNA2D1 (0.66) CACNA2D1CACNB1CACNA1CCACNA1ACACNA1B

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362021-B2 Method for increasing the bioavailability of benzhydryl piperazine containing compounds ZALICUS PHARMACEUTICALS LTD. (CA) 2013-01-29 US claimed
US-20090312346-A1 METHOD FOR INCREASING THE BIOAVAILABILITY OF BENZHYDRYL PIPERAZINE CONTAINING COMPOUNDS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-12-17 US claimed
EP-2019676-A2 METHOD FOR INCREASING THE BIOAVAILABILITY OF BENZHYDRYL PIPERAZINE CONTAINING COMPOUNDS Neuromed Pharmaceuticals, Ltd. (CA) 2009-02-04 EP claimed
WO-2007133481-A2 METHOD FOR INCREASING THE BIOAVAILABILITY OF BENZHYDRYL PIPERAZINE CONTAINING COMPOUNDS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-11-22 WO claimed
EP-1610792-B1 CALCIUM CHANNEL BLOCKERS COMPRISING TWO BENZHYDRIL MOIETIES NEUROMED TECH INC (CA) 2007-10-10 EP claimed
US-8362021-B2 Method for increasing the bioavailability of benzhydryl piperazine containing compounds ZALICUS PHARMACEUTICALS LTD. (CA) 2013-01-29 US disclosed
US-8362021-B2 Method for increasing the bioavailability of benzhydryl piperazine containing compounds ZALICUS PHARMACEUTICALS LTD. (CA) 2013-01-29 US disclosed
US-8362021-B2 Method for increasing the bioavailability of benzhydryl piperazine containing compounds ZALICUS PHARMACEUTICALS LTD. (CA) 2013-01-29 US disclosed
US-20090312346-A1 METHOD FOR INCREASING THE BIOAVAILABILITY OF BENZHYDRYL PIPERAZINE CONTAINING COMPOUNDS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-12-17 US disclosed
US-20090312346-A1 METHOD FOR INCREASING THE BIOAVAILABILITY OF BENZHYDRYL PIPERAZINE CONTAINING COMPOUNDS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-12-17 US disclosed
US-20090312346-A1 METHOD FOR INCREASING THE BIOAVAILABILITY OF BENZHYDRYL PIPERAZINE CONTAINING COMPOUNDS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-12-17 US disclosed
EP-2019676-A2 METHOD FOR INCREASING THE BIOAVAILABILITY OF BENZHYDRYL PIPERAZINE CONTAINING COMPOUNDS Neuromed Pharmaceuticals, Ltd. (CA) 2009-02-04 EP disclosed
US-20040259866-A1 Calcium channel blockers comprising two benzhydril moieties ZALICUS PHARMACEUTICALS LTD. (CA) 2004-12-23 US disclosed
US-20040259866-A1 Calcium channel blockers comprising two benzhydril moieties ZALICUS PHARMACEUTICALS LTD. (CA) 2004-12-23 US disclosed
US-20040259866-A1 Calcium channel blockers comprising two benzhydril moieties ZALICUS PHARMACEUTICALS LTD. (CA) 2004-12-23 US disclosed
WO-2004089377-A1 CALCIUM CHANNEL BLOCKERS COMPRISING TWO BENZHYDRIL MOIETIES NEUROMED TECHNOLOGIES, INC. (CA) 2004-10-21 WO disclosed
US-20040209872-A1 Calcium channel blockers comprising two benzhydril moieties ZALICUS PHARMACEUTICALS LTD. (CA) 2004-10-21 US disclosed
US-20040209872-A1 Calcium channel blockers comprising two benzhydril moieties ZALICUS PHARMACEUTICALS LTD. (CA) 2004-10-21 US disclosed
US-20040209872-A1 Calcium channel blockers comprising two benzhydril moieties ZALICUS PHARMACEUTICALS LTD. (CA) 2004-10-21 US disclosed
US-20040034035-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine NEUROMED TECHNOLOGIES, INC. 2004-02-19 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 (4 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 14/4885CACNA1C 1/4885
US-20040259866-A1 Calcium channel blockers comprising two benzhydril moieties CACNA1C, CACNA1F, CACNA1D CACNA2D1 41/4885CACNB1 14/4885CACNA1C 1/4885
US-20040034035-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine CACNA1C, CACNA1F, CACNA1D CACNA2D1 30/4885CACNB1 14/4885CACNA1C 1/4885
US-20090312346-A1 METHOD FOR INCREASING THE BIOAVAILABILITY OF BENZHYDRYL PIPERAZINE CONTAINING COMPOUNDS SLC7A1, SLC10A2, SLC10A1 CACNA2D1 3029/4885CACNB1 1150/4885CACNA1C 907/4885

“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.