SCHEMBL14763587

SCHEMBL14763587

CC1CCC1(C)NC(=O)CN1CCC(CNC(=O)c2cc(Cl)cc(Br)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 16/20 0.58
KCNH2 Q12809 12/20 0.55
CACNA1H O95180 5/20 0.54
CACNA1G O43497 1/20 0.54
CYP2D6 P10635 2/20 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
SCHEMBL14763723 0.90 CACNA1I (0.68) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL14763239 0.89 CACNA1I (0.56) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL26082500 0.82 CACNA1I (0.70) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL4285570 0.82 CACNA1I (0.86) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL26081974 0.80 CACNA1I (0.75) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL4270227 0.80 CACNA1I (0.55) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL14762881 0.79 CACNA1H (0.51) CACNA1IKCNH2CACNA1HCACNA1G
SCHEMBL20056196 0.79 CACNA1I (0.80) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL4276609 0.78 CACNA1I (0.72) CACNA1IKCNH2CACNA1HCACNA1GCYP2D6
SCHEMBL4273162 0.76 KMT2A (0.59) CACNA1IKCNH2CACNA1HCACNA1G

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.