SCHEMBL4843363

SCHEMBL4843363

CCOC(=O)/C=C/C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.37
NR1H2 P55055 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KAT7 O95251 1/20 0.35
ADORA1 P30542 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SETD7 Q8WTS6 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33

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
SCHEMBL4840050 1.00 PARP1 (0.37) PARP1NR1H2MEN1KMT2AMAPT
SCHEMBL4843374 0.93 PARP1 (0.36) PARP1NR1H2MEN1KMT2AMAPT
SCHEMBL29318680 0.83 MEN1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29551042 0.82 PDE8B (0.42) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4406008 0.82 PDE8B (0.42) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29550324 0.82 PDE8B (0.42) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6730924 0.81 NR1H2 (0.36) NR1H2MEN1KMT2AMAPTALDH1A1
SCHEMBL6730928 0.81 NR1H2 (0.36) NR1H2MEN1KMT2AMAPTALDH1A1
SCHEMBL25757548 0.80 NR1H2 (0.43) NR1H2MEN1KMT2AMAPTALDH1A1
SCHEMBL15373107 0.80 NR1H2 (0.46) NR1H2MEN1KMT2AMAPTALDH1A1

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 6 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
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US 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
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

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 2330/4885NR1H2 498/4885MEN1 4511/4885

“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.