SCHEMBL4461986

SCHEMBL4461986

O=C(CC(c1ccccc1)c1ccccc1)NC1CCN(C(c2ccccc2)c2ccccc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.48
TPSD1 Q9BZJ3 1/20 0.48
TPSG1 Q9NRR2 1/20 0.48
HTT P42858 1/20 0.47
AGTR2 P50052 1/20 0.45
CACNA2D1 P54289 2/20 0.43
CACNB1 Q02641 2/20 0.43
CACNA1C Q13936 2/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1B Q00975 1/20 0.43
SSTR2 P30874 3/20 0.42
SSTR4 P31391 3/20 0.42
SSTR5 P35346 3/20 0.42
SSTR1 P30872 2/20 0.42
SSTR3 P32745 2/20 0.42
CACNA1A O00555 1/20 0.42
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
CYP2C19 P33261 2/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL4463331 0.83 CACNA2D1 (0.47) TPSAB1TPSD1TPSG1HTTCACNA2D1
SCHEMBL4457633 0.80 CACNA2D1 (0.45) CACNA2D1CACNB1CACNA1CCACNA1BLMNA
SCHEMBL4557152 0.77 KCNA3 (0.43)
SCHEMBL4462451 0.73 CACNA2D1 (0.53) HTTCACNA2D1CACNB1CACNA1CCACNA1B
SCHEMBL7714059 0.70 KDM4D (0.45)
SCHEMBL7714056 0.70 KDM4D (0.45)
SCHEMBL8282230 0.70 CACNA2D1 (0.44) HTTAGTR2CACNA2D1CACNB1CACNA1C
SCHEMBL22148074 0.68 SLC6A9 (0.42) HPGDRAB9ACYP2D6
SCHEMBL4463788 0.68 DPP4 (0.46) CYP3A4RAB9ACYP2D6TDP1
SCHEMBL16874734 0.68 ALDH1A1 (0.40) HPGDRAB9ACYP2D6

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 12 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
JP-2007518742-A 2007-07-12 JP claimed
EP-1718633-A1 N-TYPE CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2006-11-08 EP claimed
WO-2005070919-A1 N-TYPE CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2005-08-04 WO 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
US-7507760-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2009-03-24 US disclosed
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
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 TPSAB1 825/4885TPSD1 1237/4885TPSG1 2730/4885

“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.