SCHEMBL4840263

SCHEMBL4840263

CC(C)(C)OC(=O)N1CCN(C(=O)O)CC1CC=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.38
HSD17B10 Q99714 1/20 0.37
NR1H2 P55055 3/20 0.37
NR1H3 Q13133 2/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SETD7 Q8WTS6 1/20 0.34

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
SCHEMBL4845934 0.92 NR1H2 (0.41) PARP1NR1H2USP2SMN1; SMN2DDB1
SCHEMBL4840248 0.92 NR1H2 (0.41) PARP1NR1H2USP2SMN1; SMN2DDB1
SCHEMBL22806457 0.89 NR1H2 (0.40) PARP1NR1H2USP2SMN1; SMN2DDB1
SCHEMBL23841589 0.86 PARP1 (0.36) PARP1HSD17B10NR1H2NR1H3USP2
SCHEMBL4844818 0.85 PARP1 (0.39) PARP1HSD17B10NR1H2NR1H3USP2
SCHEMBL1183970 0.85 NR1H2 (0.46) PARP1HSD17B10NR1H2NR1H3USP2
SCHEMBL30111484 0.85 NR1H2 (0.46) PARP1HSD17B10NR1H2NR1H3USP2
SCHEMBL28490941 0.85 PARP1 (0.48) PARP1HSD17B10NR1H2NR1H3USP2
SCHEMBL21713897 0.83 PARP1 (0.41) PARP1HSD17B10NR1H2NR1H3USP2
SCHEMBL1183760 0.83 PARP1 (0.38) PARP1HSD17B10NR1H2NR1H3USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117956985-A Inhibitors of glycogen synthase 1 (GYS 1) and methods of use thereof 梅兹治疗公司 2024-04-30 CN disclosed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
EP-1546134-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES LILLY CO ELI (US) 2007-05-02 EP disclosed
US-20060270656-A1 Substituted piperazines of azepines, oxazepines and thiazepines ELI LILLY AND COMPANY 2006-11-30 US disclosed
EP-1664063-A1 SUBSTITUTED PIPERAZINES OF AZEPINES, OXAZEPINES, AND THIAZEPINES ELI LILLY AND COMPANY (US) 2006-06-07 EP disclosed
US-20060084643-A1 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY 2006-04-20 US disclosed
EP-1546134-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2005-06-29 EP disclosed
WO-2005026177-A1 SUBSTITUTED PIPERAZINES OF AZEPINES, OXAZEPINES, AND THIAZEPINES ELI LILLY AND COMPANY (US) 2005-03-24 WO disclosed
WO-2004014895-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2004-02-19 WO 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 (2 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-20060270656-A1 Substituted piperazines of azepines, oxazepines and thiazepines HRH4, HRH2, HRH3 PARP1 4473/4885HSD17B10 1800/4885NR1H2 75/4885
US-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 PARP1 2330/4885HSD17B10 1680/4885NR1H2 498/4885

“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.