SCHEMBL14763517

SCHEMBL14763517

COc1cc(Cl)cc(C(=O)NCC2CCN(CC(=O)NCC(C)(C)C)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 17/20 0.67
KCNH2 Q12809 15/20 0.63
CACNA1H O95180 4/20 0.61
CACNA1G O43497 2/20 0.61
CYP2D6 P10635 2/20 0.53
CHRM2 P08172 1/20 0.48
HRH1 P35367 1/20 0.48
HTR4 Q13639 1/20 0.48
CACNA1C Q13936 1/20 0.48

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
SCHEMBL26082093 0.89 CACNA1I (0.84) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL4280786 0.84 CACNA1I (0.63) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL20056147 0.83 CACNA1I (0.62) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL14708784 0.83 CACNA1I (0.59) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL4284236 0.83 CACNA1I (0.59) CACNA1IKCNH2CACNA1HCACNA1G
SCHEMBL4272351 0.83 CACNA1I (0.73) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL4276892 0.81 CACNA1I (0.53) CACNA1IKCNH2CACNA1HCACNA1GHTR4
SCHEMBL14763239 0.81 CACNA1I (0.56) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL7807948 0.80 CACNA1I (0.79) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL4285720 0.80 CACNA1I (1.00) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6

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-8569344-B2 N-piperidinyl acetamide derivatives as calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2013-10-29 US disclosed
US-20130065926-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MARK G. DEGIACOMO, CHAPTER 7 TRUSTEE OF EPIRUS BIOPHARMACEUTICALS, INC. 2013-03-14 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-20130065926-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.