SCHEMBL4207187

SCHEMBL4207187

NC(=O)N1CCN(C(c2ccccc2)c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 9/20 0.72
CACNA1B Q00975 9/20 0.72
CACNB1 Q02641 9/20 0.72
CACNA1G O43497 3/20 0.72
CACNA1C Q13936 3/20 0.60
CNR1 P21554 8/20 0.57
CNR2 P34972 4/20 0.50

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
SCHEMBL5267980 0.84 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
SCHEMBL3397448 0.83 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
SCHEMBL5624203 0.82 KMT2A (0.70) CACNA2D1CACNA1BCACNB1CACNA1CCNR1
SCHEMBL5547406 0.80 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
SCHEMBL5544039 0.76 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
SCHEMBL4243353 0.75 OPRM1 (0.68) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
SCHEMBL5266144 0.74 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
SCHEMBL5547409 0.74 CACNA2D1 (0.60) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
SCHEMBL3396514 0.73 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C
SCHEMBL4273986 0.72 CACNA2D1 (0.60) CACNA2D1CACNA1BCACNB1CACNA1GCACNA1C

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-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

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 3029/4885CACNA1B 993/4885CACNB1 1150/4885

“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.