SCHEMBL1428097

SCHEMBL1428097

CC(C)(C)N(CC1CCN(CCNS(=O)(=O)C2CC2)CC1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
CYP2C9 P11712 2/20 0.35
HTR4 Q13639 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
PMP22 Q01453 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
HTR6 P50406 2/20 0.32
CACNA1H O95180 1/20 0.32
HTR1A P08908 1/20 0.32

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
SCHEMBL1428069 0.85 CYP2C9 (0.34) CYP2C9HTR4MEN1ALDH1A1CYP3A4
SCHEMBL1428804 0.79 KDM1A (0.45) KDM1A
SCHEMBL1430766 0.77 PRMT3 (0.40) ALOX15CARM1PRMT6
SCHEMBL1428801 0.75 KDM1A (0.46) KDM1AHTR4ALDH1A1CYP2D6NPSR1
SCHEMBL7797385 0.73 DRD2 (0.43) KDM1AHTR4CYP2D6CACNA1H
SCHEMBL17711644 0.72 POLB (0.42) MEN1ALDH1A1KMT2ANPSR1
SCHEMBL1428125 0.72 KDM1A (0.47) KDM1ACYP2C9HTR4MEN1ALDH1A1
SCHEMBL1428096 0.71 KDM1A (0.41) KDM1AALDH1A1ALOX15CARM1PRMT6
SCHEMBL16292529 0.71 ALOX5 (0.39) MEN1ALDH1A1KMT2A
SCHEMBL1428058 0.70 BCHE (0.32)

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-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
EP-2300007-A1 N-PIPERIDINYL ACETAMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Zalicus Pharmaceuticals Ltd. (CA) 2011-03-30 EP 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 KDM1A 3578/4885CYP2C9 3319/4885HTR4 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.