SCHEMBL5635007

SCHEMBL5635007

CCNC(=O)N(CC1CCN(C(c2ccccc2)c2ccccc2)C1)C(=O)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 7/20 0.45
CACNB1 Q02641 7/20 0.45
CACNA1A O00555 2/20 0.45
CACNA1C Q13936 6/20 0.42
OPRD1 P41143 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CACNA1B Q00975 5/20 0.40
CACNA1H O95180 1/20 0.40
SLC6A9 P48067 1/20 0.40
OPRM1 P35372 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
DPP4 P27487 1/20 0.38
POLB P06746 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
SCHEMBL5633718 0.82 CACNA2D1 (0.47) CACNA2D1CACNB1CACNA1ACACNA1CALDH1A1
SCHEMBL5633709 0.74 CYP3A4 (0.51) CACNA2D1CACNB1CACNA1ACACNA1CALDH1A1
SCHEMBL14459927 0.73 CACNA2D1 (0.46) CACNA2D1CACNB1CACNA1ACACNA1COPRD1
SCHEMBL4473810 0.72 CCR5 (0.58) CACNA2D1CACNB1CACNA1ACACNA1CALDH1A1
SCHEMBL4460130 0.72 CCR5 (0.58) CACNA2D1CACNB1CACNA1ACACNA1CALDH1A1
SCHEMBL4460125 0.72 CCR5 (0.58) CACNA2D1CACNB1CACNA1ACACNA1CALDH1A1
SCHEMBL14459926 0.72 DPP4 (0.48) OPRD1ALDH1A1L3MBTL1SLC6A9OPRM1
SCHEMBL13596969 0.70 DPP4 (0.55) OPRD1ALDH1A1GAAMAPTHTT
SCHEMBL21075233 0.70 DPP4 (0.55) OPRD1ALDH1A1GAAMAPTHTT
SCHEMBL5634347 0.70 CACNA2D1 (0.54) CACNA2D1CACNB1CACNA1ACACNA1COPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244758-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-07-17 US claimed
US-20050014748-A1 N-type calcium channel blockers NEUROMED TECHNOLOGIES INC. 2005-01-20 US claimed
US-7244758-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-07-17 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-20050014748-A1 N-type calcium channel blockers CACNA1B, CACNA1C, CACNA1I CACNA2D1 30/4885CACNB1 13/4885CACNA1A 19/4885

“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.