SCHEMBL4837008

SCHEMBL4837008

COCCCCC1CN(C(=O)O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.36
GPR119 Q8TDV5 6/20 0.36
HSD17B10 Q99714 1/20 0.34
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 2/20 0.34
CCR3 P51677 1/20 0.34
KAT7 O95251 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4836992 0.93 GPR119 (0.39) PARP1GPR119NR1H2CCR3KAT7
SCHEMBL4836292 0.91 HSD17B10 (0.39) PARP1HSD17B10NR1H2NR1H3CCR3
SCHEMBL4836555 0.88 NR1H2 (0.38) PARP1HSD17B10NR1H2NR1H3CCR3
SCHEMBL4843493 0.85 PARP1 (0.37) PARP1HSD17B10NR1H2NR1H3CCR3
SCHEMBL6988866 0.83 PARP1 (0.40) PARP1HSD17B10NR1H2NR1H3CCR3
SCHEMBL4836282 0.83 MEN1 (0.42) PARP1HSD17B10NR1H2KAT7USP2
SCHEMBL4840180 0.83 NR1H2 (0.40) PARP1HSD17B10NR1H2NR1H3USP2
SCHEMBL4846092 0.81 PARP1 (0.38) PARP1HSD17B10NR1H2NR1H3SMN1; SMN2
SCHEMBL30111484 0.80 NR1H2 (0.46) PARP1HSD17B10NR1H2NR1H3USP2
SCHEMBL28490941 0.80 PARP1 (0.48) PARP1HSD17B10NR1H2NR1H3KAT7

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 5 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-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-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 (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-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 PARP1 2330/4885GPR119 379/4885HSD17B10 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.