SCHEMBL16478286

SCHEMBL16478286

O=C(NCC1CCN(CCNS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(CF)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 16/20 0.56
KCNH2 Q12809 13/20 0.54
CACNA1H O95180 3/20 0.54
CYP2D6 P10635 2/20 0.54
CACNA1G O43497 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
SCHEMBL4275652 0.91 CACNA1I (0.67) CACNA1IKCNH2CACNA1HCYP2D6SLC6A2
SCHEMBL15353980 0.89 CACNA1I (0.46) CACNA1IKCNH2CACNA1HCYP2D6
SCHEMBL4271000 0.89 CACNA1I (0.59) CACNA1IKCNH2CACNA1HCYP2D6CACNA1G
SCHEMBL15353977 0.88 CACNA1I (0.58) CACNA1IKCNH2CACNA1HCYP2D6CACNA1G
SCHEMBL15353997 0.87 KCNH2 (0.55) CACNA1IKCNH2CACNA1HCYP2D6CACNA1G
SCHEMBL15353992 0.86 GSK3B (0.47) CACNA1IKCNH2CACNA1HCYP2D6
SCHEMBL4274395 0.86 CACNA1I (0.58) CACNA1IKCNH2CACNA1HCYP2D6CACNA1G
SCHEMBL15353989 0.86 HDAC3 (0.51) CACNA1IKCNH2
SCHEMBL4277996 0.85 KCNH2 (0.56) CACNA1IKCNH2CACNA1HCYP2D6CACNA1G
SCHEMBL4278285 0.83 CACNA1I (0.66) CACNA1IKCNH2CACNA1HCYP2D6

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-9096522-B2 N-piperidinyl acetamide derivatives as calcium channel blockers Zalicus Pharmaceuticals, Ltd. (CA) 2015-08-04 US disclosed
US-20140011996-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2014-01-09 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-20140011996-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B CACNA1I 4/4885KCNH2 60/4885CACNA1H 2/4885

“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.