SCHEMBL1428096

SCHEMBL1428096

CC(C)(C)C(NC(=O)O)C1CCN(CCNS(=O)(=O)C2CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.41
CACNA1H O95180 1/20 0.34
CARM1 Q86X55 2/20 0.33
PRMT6 Q96LA8 2/20 0.33
HTR1A P08908 2/20 0.32
SCN9A Q15858 1/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
USP2 O75604 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL1428067 0.85 EPHX1 (0.34) KDM1ACACNA1HCARM1PRMT6HTR1A
SCHEMBL1430764 0.78 GNAI3 (0.41) CARM1PRMT6ALOX15POLBHTT
SCHEMBL1428056 0.72 CTSS (0.34)
SCHEMBL1428801 0.72 KDM1A (0.46) KDM1ACACNA1HALDH1A1
SCHEMBL5312840 0.72 TACR2 (0.38)
SCHEMBL1428097 0.71 KDM1A (0.41) KDM1ACACNA1HCARM1PRMT6HTR1A
SCHEMBL2276120 0.71 TP53 (0.34) ALDH1A1POLBHTT
SCHEMBL1428804 0.71 KDM1A (0.45) KDM1A
SCHEMBL27872387 0.69 KDM1A (0.47) KDM1ACARM1PRMT6ALDH1A1DRD2
SCHEMBL7797385 0.68 DRD2 (0.43) KDM1ACACNA1HDRD2

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 3578/4885CACNA1H 2/4885CARM1 3899/4885

“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.