SCHEMBL4179716

SCHEMBL4179716

COc1ccc(C(c2ccc(C(F)(F)F)cc2)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 14/20 1.00
CACNB1 Q02641 14/20 1.00
CACNA1A O00555 2/20 1.00
CACNA1B Q00975 13/20 0.83
CACNA1C Q13936 12/20 0.83
CACNA1G O43497 2/20 0.83
CACNA1H O95180 1/20 0.65

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
SCHEMBL5265363 0.91 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1ACACNA1BCACNA1C
SCHEMBL5267690 0.91 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1ACACNA1BCACNA1C
SCHEMBL8427763 0.91 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1ACACNA1BCACNA1C
SCHEMBL13569213 0.86 CACNA2D1 (0.85) CACNA2D1CACNB1CACNA1ACACNA1BCACNA1C
SCHEMBL5547413 0.85 CACNA2D1 (0.74) CACNA2D1CACNB1CACNA1ACACNA1BCACNA1C
SCHEMBL3426145 0.82 CACNA2D1 (0.70) CACNA2D1CACNB1CACNA1ACACNA1BCACNA1C
SCHEMBL5264964 0.82 CACNA2D1 (0.85) CACNA2D1CACNB1CACNA1ACACNA1BCACNA1C
SCHEMBL5267046 0.82 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1ACACNA1BCACNA1C
SCHEMBL4352704 0.82 CACNA2D1 (0.78) CACNA2D1CACNB1CACNA1ACACNA1BCACNA1C
SCHEMBL4182732 0.81 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1ACACNA1BCACNA1C

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 10 patents. 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
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
WO-2007133481-A2 METHOD FOR INCREASING THE BIOAVAILABILITY OF BENZHYDRYL PIPERAZINE CONTAINING COMPOUNDS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-11-22 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 (1 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-20090312346-A1 METHOD FOR INCREASING THE BIOAVAILABILITY OF BENZHYDRYL PIPERAZINE CONTAINING COMPOUNDS SLC7A1, SLC10A2, SLC10A1 CACNA2D1 3029/4885CACNB1 1150/4885CACNA1A 780/4885

“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.