SCHEMBL4843374

SCHEMBL4843374

CCOC(=O)C=CCC1CN(C(=O)O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.36
F13A1 P00488 1/20 0.33
TGM2 P21980 1/20 0.33
TGM1 P22735 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
NR1H2 P55055 3/20 0.32
NR1H3 Q13133 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
KAT7 O95251 1/20 0.31

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 0.93 PARP1 (0.37) PARP1NR1H2MEN1KMT2AMAPT
SCHEMBL4843363 0.93 PARP1 (0.37) PARP1NR1H2MEN1KMT2AMAPT
SCHEMBL29318680 0.81 MEN1 (0.42) HSD17B10MEN1KMT2AALDH1A1
SCHEMBL4840263 0.81 PARP1 (0.38) PARP1NR1H2NR1H3HSD17B10MEN1
SCHEMBL29550324 0.81 PDE8B (0.42) HSD17B10MEN1KMT2AALDH1A1
SCHEMBL4406008 0.81 PDE8B (0.42) HSD17B10MEN1KMT2AALDH1A1
SCHEMBL29551042 0.81 PDE8B (0.42) HSD17B10MEN1KMT2AALDH1A1
SCHEMBL28490941 0.79 PARP1 (0.48) PARP1NR1H2NR1H3HSD17B10MEN1
SCHEMBL30111484 0.77 NR1H2 (0.46) PARP1NR1H2NR1H3HSD17B10MEN1
SCHEMBL1183970 0.77 NR1H2 (0.46) PARP1NR1H2NR1H3HSD17B10MEN1

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 3 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

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 2330/4885F13A1 2965/4885TGM2 4137/4885

“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.