SCHEMBL4476052

SCHEMBL4476052

O=C(CNC[C@@H]1CCN(C(c2ccccc2)c2ccccc2)C1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 9/20 0.59
CACNB1 Q02641 9/20 0.59
CACNA1B Q00975 8/20 0.59
CACNA1C Q13936 8/20 0.59
SLC6A9 P48067 1/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
CACNA1A O00555 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CACNA1G O43497 1/20 0.38

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
SCHEMBL4463763 1.00 CACNA2D1 (0.59) CACNA2D1CACNB1CACNA1BCACNA1CSLC6A9
SCHEMBL5548292 0.93 CACNA2D1 (0.62) CACNA2D1CACNB1CACNA1BCACNA1CALDH1A1
SCHEMBL5633544 0.81 CACNA2D1 (0.56) CACNA2D1CACNB1CACNA1BCACNA1CSLC6A9
SCHEMBL5634347 0.80 CACNA2D1 (0.54) CACNA2D1CACNB1CACNA1BCACNA1CSLC6A9
SCHEMBL5634490 0.78 CACNA2D1 (0.52) CACNA2D1CACNB1CACNA1BCACNA1CSLC6A9
SCHEMBL4464060 0.78 CXCR4 (0.52) MEN1KMT2A
SCHEMBL4464053 0.78 CXCR4 (0.52) MEN1KMT2A
SCHEMBL5548263 0.75 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1CSLC6A9
SCHEMBL5633709 0.75 CYP3A4 (0.51) CACNA2D1CACNB1CACNA1BCACNA1CSLC6A9
SCHEMBL4463765 0.74 CACNA2D1 (0.56) CACNA2D1CACNB1CACNA1BCACNA1CSLC6A9

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 40/4885CACNB1 11/4885CACNA1B 1/4885

“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.