SCHEMBL4836282

SCHEMBL4836282

COCCC1CN(C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
NR1H2 P55055 1/20 0.40
PARP1 P09874 2/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KAT7 O95251 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.37
EPHX2 P34913 1/20 0.36
SETD7 Q8WTS6 1/20 0.36
ACKR3 P25106 1/20 0.36

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
SCHEMBL4836292 0.92 HSD17B10 (0.39) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL4836992 0.91 GPR119 (0.39) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL4846080 0.86 MEN1 (0.41) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL19964291 0.86 NR1H2 (0.38) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL22620814 0.86 NR1H2 (0.42) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL13536949 0.86 NR1H2 (0.42) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL6812832 0.86 NR1H2 (0.42) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL4840168 0.86 NR1H2 (0.46) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL5790219 0.86 NR1H2 (0.46) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL6729203 0.84 NR1H2 (0.41) MEN1ALDH1A1MAPTKMT2ANR1H2

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 MEN1 4241/4885ALDH1A1 2523/4885MAPT 4500/4885
US-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 MEN1 4511/4885ALDH1A1 215/4885MAPT 1793/4885

“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.