SCHEMBL4457583

SCHEMBL4457583

CN(C(=O)CN(c1ccccc1)c1ccccc1)C1CCN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 9/20 0.53
CACNA1B Q00975 9/20 0.53
CACNB1 Q02641 9/20 0.53
CACNA1C Q13936 2/20 0.47
CCR5 P51681 8/20 0.47
SLC6A9 P48067 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4476047 1.00 CACNA2D1 (0.53) CACNA2D1CACNA1BCACNB1CACNA1CCCR5
SCHEMBL4457580 1.00 CACNA2D1 (0.53) CACNA2D1CACNA1BCACNB1CACNA1CCCR5
SCHEMBL5548254 0.93 CACNA2D1 (0.58) CACNA2D1CACNA1BCACNB1CACNA1CCCR5
SCHEMBL4460125 0.84 CCR5 (0.58) CACNA2D1CACNA1BCACNB1CACNA1CCCR5
SCHEMBL4473810 0.84 CCR5 (0.58) CACNA2D1CACNA1BCACNB1CACNA1CCCR5
SCHEMBL4460130 0.84 CCR5 (0.58) CACNA2D1CACNA1BCACNB1CACNA1CCCR5
SCHEMBL14459925 0.82 CACNA2D1 (0.51) CACNA2D1CACNA1BCACNB1CACNA1CSLC6A9
SCHEMBL4463769 0.81 CACNA2D1 (0.56) CACNA2D1CACNA1BCACNB1CACNA1CCCR5
SCHEMBL4463765 0.81 CACNA2D1 (0.56) CACNA2D1CACNA1BCACNB1CACNA1CCCR5
SCHEMBL4476055 0.81 CACNA2D1 (0.56) CACNA2D1CACNA1BCACNB1CACNA1CCCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507760-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2009-03-24 US claimed
US-20050165065-A1 N-type calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2005-07-28 US claimed
US-7507760-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2009-03-24 US disclosed
EP-1718633-A1 N-TYPE CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2006-11-08 EP disclosed
WO-2005070919-A1 N-TYPE CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2005-08-04 WO disclosed
US-20050165065-A1 N-type calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2005-07-28 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 (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-20050165065-A1 N-type calcium channel blockers CACNA1B, CACNA1C, CACNA1D CACNA2D1 40/4885CACNA1B 1/4885CACNB1 11/4885

“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.