SCHEMBL14770254

SCHEMBL14770254

CN(CCN1CCC(CNC(=O)c2cc(F)cc(C(F)(F)F)c2)CC1)C(=O)C1(C)CCCC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.58
CACNA1I Q9P0X4 12/20 0.58
CACNA1H O95180 2/20 0.45
CACNA1G O43497 1/20 0.45
CYP2D6 P10635 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
MCHR1 Q99705 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4274779 0.97 KCNH2 (0.59) KCNH2CACNA1ICACNA1HCACNA1GCYP2D6
SCHEMBL4275358 0.91 KCNH2 (0.56) KCNH2CACNA1ICACNA1HCACNA1GCYP2D6
SCHEMBL16458438 0.90 KCNH2 (0.50) KCNH2CACNA1ICACNA1HCACNA1G
SCHEMBL4282547 0.90 KCNH2 (0.58) KCNH2CACNA1ICACNA1HCACNA1GCYP2D6
SCHEMBL19112605 0.88 KCNH2 (0.52) KCNH2CACNA1ICACNA1HCACNA1GCYP2D6
SCHEMBL4275219 0.87 KCNH2 (0.59) KCNH2CACNA1ICACNA1HCACNA1GCYP2D6
SCHEMBL4277277 0.86 CACNA1I (0.63) KCNH2CACNA1ICACNA1HCACNA1GCYP2D6
SCHEMBL4269991 0.86 CACNA1I (0.60) KCNH2CACNA1ICACNA1HCACNA1GCYP2D6
SCHEMBL21952106 0.86 KCNH2 (0.60) KCNH2CACNA1ICACNA1HCACNA1GCYP2D6
SCHEMBL13569827 0.85 CACNA1I (0.46) KCNH2CACNA1ICACNA1HCACNA1GCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160175315-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS, LTD. (CA) 2016-06-23 US disclosed
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
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 (3 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 KCNH2 60/4885CACNA1I 4/4885CACNA1H 2/4885
US-20140011996-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B KCNH2 60/4885CACNA1I 4/4885CACNA1H 2/4885
US-20160175315-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B KCNH2 60/4885CACNA1I 4/4885CACNA1H 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.