SCHEMBL4840180

SCHEMBL4840180

CC(C)(C)OC(=O)N1CCN(C(=O)O)CC1CCO

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.40
PARP1 P09874 2/20 0.39
HSD17B10 Q99714 1/20 0.38
NR1H3 Q13133 2/20 0.37
ATM Q13315 2/20 0.36
SETD7 Q8WTS6 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 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
SCHEMBL4840168 0.92 NR1H2 (0.46) NR1H2PARP1ATMSETD7USP2
SCHEMBL5790219 0.92 NR1H2 (0.46) NR1H2PARP1ATMSETD7USP2
SCHEMBL4836555 0.91 NR1H2 (0.38) NR1H2PARP1HSD17B10NR1H3ATM
SCHEMBL22806221 0.89 NR1H2 (0.43) NR1H2PARP1SETD7USP2SMN1; SMN2
SCHEMBL1183970 0.89 NR1H2 (0.46) NR1H2PARP1HSD17B10NR1H3SETD7
SCHEMBL30111484 0.89 NR1H2 (0.46) NR1H2PARP1HSD17B10NR1H3SETD7
SCHEMBL4854281 0.88 NR1H2 (0.40) NR1H2PARP1ATMSETD7USP2
SCHEMBL4854288 0.88 NR1H2 (0.40) NR1H2PARP1ATMSETD7USP2
SCHEMBL4836292 0.86 HSD17B10 (0.39) NR1H2PARP1HSD17B10NR1H3USP2
SCHEMBL28490941 0.86 PARP1 (0.48) NR1H2PARP1HSD17B10NR1H3ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NR1H2 75/4885PARP1 4473/4885HSD17B10 1800/4885
US-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 NR1H2 498/4885PARP1 2330/4885HSD17B10 1680/4885

“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.