SCHEMBL1428801

SCHEMBL1428801

O=C(O)NCC1CCN(CCNS(=O)(=O)C2CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.46
KCNH2 Q12809 3/20 0.39
HTR4 Q13639 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2D6 P10635 2/20 0.38
GSK3B P49841 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
EPHX1 P07099 2/20 0.36
EPHX2 P34913 2/20 0.36
CACNA1I Q9P0X4 1/20 0.36
CACNA1H O95180 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7797385 0.81 DRD2 (0.43) KDM1AKCNH2HTR4CYP2D6GSK3B
SCHEMBL4220846 0.81 KCNH2 (0.39) KDM1AKCNH2HTR4ALDH1A1CYP2D6
SCHEMBL4271496 0.81 KCNH2 (0.50) KCNH2HTR4CYP2D6GSK3BCACNA1I
SCHEMBL19112809 0.79 KDM1A (0.44) KDM1AKCNH2HTR4ALDH1A1GSK3B
SCHEMBL4273130 0.79 CACNA1I (0.49) KDM1AKCNH2HTR4CYP2D6GSK3B
SCHEMBL4275652 0.79 CACNA1I (0.67) KCNH2CYP2D6CACNA1ICACNA1HSLC6A2
SCHEMBL19113009 0.79 KCNH2 (0.41) KDM1AKCNH2HTR4CYP2D6GSK3B
SCHEMBL1428125 0.78 KDM1A (0.47) KDM1AHTR4ALDH1A1CYP2D6NPSR1
SCHEMBL22019052 0.78 KDM1A (0.40) KDM1AKCNH2HTR4ALDH1A1CYP2D6
SCHEMBL4272143 0.77 KCNH2 (0.47) KDM1AKCNH2HTR4CYP2D6GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189839-B1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS PRAXIS PREC MEDICINES INC (US) 2020-05-20 EP disclosed
EP-2300007-B1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TARO PHARMACEUTICALS INC (CA) 2018-04-18 EP disclosed
EP-3189839-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Taro Pharmaceuticals Inc. (CA) 2017-07-12 EP disclosed
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-8377968-B2 N-piperidinyl acetamide derivatives as calcium channel blockers Zalicus Pharmaceuticals, Ltd. (CA) 2013-02-19 US disclosed
EP-2300007-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Zalicus Pharmaceuticals Ltd. (CA) 2011-03-30 EP disclosed
WO-2009146540-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD (CA) 2009-12-10 WO disclosed
US-20090298883-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MARK G. DEGIACOMO, CHAPTER 7 TRUSTEE OF EPIRUS BIOPHARMACEUTICALS, INC. 2009-12-03 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-20140011996-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B KDM1A 3578/4885KCNH2 60/4885HTR4 1724/4885
US-20090298883-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B KDM1A 3578/4885KCNH2 60/4885HTR4 1724/4885
US-20160175315-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B KDM1A 3578/4885KCNH2 60/4885HTR4 1724/4885

“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.