SCHEMBL4843481

SCHEMBL4843481

CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](CCCC(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.39
NR1H2 P55055 3/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
FAAH O00519 1/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABHD6 Q9BV23 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
NR1H3 Q13133 2/20 0.36
KAT7 O95251 1/20 0.35
SETD7 Q8WTS6 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35

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
SCHEMBL4843493 0.94 PARP1 (0.37) PARP1NR1H2FAAHUSP2SMN1; SMN2
SCHEMBL31377274 0.92 PARP1 (0.41) PARP1NR1H2MEN1ALDH1A1MAPT
SCHEMBL4836552 0.85 NR1H2 (0.43) PARP1NR1H2MEN1ALDH1A1MAPT
SCHEMBL4844477 0.85 ALDH1A1 (0.39) PARP1NR1H2MEN1ALDH1A1MAPT
SCHEMBL4840168 0.83 NR1H2 (0.46) PARP1NR1H2MEN1ALDH1A1MAPT
SCHEMBL5790219 0.83 NR1H2 (0.46) PARP1NR1H2MEN1ALDH1A1MAPT
SCHEMBL21193443 0.83 NR1H2 (0.42) PARP1NR1H2MEN1ALDH1A1MAPT
SCHEMBL18286688 0.83 NR1H2 (0.42) PARP1NR1H2MEN1ALDH1A1MAPT
SCHEMBL4836992 0.83 GPR119 (0.39) PARP1NR1H2MEN1ALDH1A1MAPT
SCHEMBL6729203 0.82 NR1H2 (0.41) PARP1NR1H2MEN1ALDH1A1MAPT

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
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
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 2330/4885NR1H2 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.