SCHEMBL16478341

SCHEMBL16478341

Cc1cc(C)cc(C(=O)NCC2CCN(CC(=O)N3CCC[C@H]3CF)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 12/20 0.47
KCNH2 Q12809 9/20 0.47
CACNA1H O95180 4/20 0.44
CACNA1G O43497 1/20 0.44
CYP2D6 P10635 1/20 0.39
CCR2 P41597 1/20 0.39
MMP13 P45452 1/20 0.39
DPP4 P27487 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
SCHEMBL8374204 0.94 CACNA1I (0.50) CACNA1IKCNH2CACNA1HCACNA1GDPP4
SCHEMBL16478284 0.94 CACNA1I (0.50) CACNA1IKCNH2CACNA1HCACNA1GDPP4
SCHEMBL16478339 0.87 KMT2A (0.48) CACNA1IKCNH2CACNA1HCACNA1G
SCHEMBL4280614 0.85 CACNA1I (0.48) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL4280619 0.85 CACNA1I (0.48) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL8371289 0.84 CACNA1I (0.62) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL8374203 0.84 CACNA1I (0.62) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL8371157 0.84 CACNA1H (0.48) CACNA1IKCNH2CACNA1HCACNA1GDPP4
SCHEMBL16478275 0.84 CACNA1H (0.48) CACNA1IKCNH2CACNA1HCACNA1GDPP4
SCHEMBL8371812 0.83 DPP4 (0.56) CACNA1IKCNH2CACNA1HCACNA1GDPP4

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.