SCHEMBL5267690

SCHEMBL5267690

O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 15/20 1.00
CACNB1 Q02641 15/20 1.00
CACNA1B Q00975 13/20 1.00
CACNA1C Q13936 12/20 1.00
CACNA1A O00555 3/20 1.00
CACNA1H O95180 1/20 0.78
CACNA1G O43497 3/20 0.71

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
SCHEMBL4179716 0.91 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1A
SCHEMBL5264964 0.90 CACNA2D1 (0.85) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1A
SCHEMBL4182732 0.89 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1A
Z160 SCHEMBL4180792 0.88 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1A
SCHEMBL4352704 0.88 CACNA2D1 (0.78) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1A
SCHEMBL5264907 0.86 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1A
SCHEMBL5266285 0.84 CACNA2D1 (0.86) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1A
SCHEMBL5268519 0.83 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1A
SCHEMBL5266301 0.83 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1A
SCHEMBL4179713 0.83 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CCACNA1A

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 8 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
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
WO-2007133481-A2 METHOD FOR INCREASING THE BIOAVAILABILITY OF BENZHYDRYL PIPERAZINE CONTAINING COMPOUNDS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-11-22 WO 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
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 (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 14/4885CACNA1B 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
US-20040259866-A1 Calcium channel blockers comprising two benzhydril moieties CACNA1C, CACNA1F, CACNA1D CACNA2D1 41/4885CACNB1 14/4885CACNA1B 4/4885
US-20090312346-A1 METHOD FOR INCREASING THE BIOAVAILABILITY OF BENZHYDRYL PIPERAZINE CONTAINING COMPOUNDS SLC7A1, SLC10A2, SLC10A1 CACNA2D1 3029/4885CACNB1 1150/4885CACNA1B 993/4885

“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.