SCHEMBL4840301

SCHEMBL4840301

CC(O)CC1CN(C(=O)O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.38
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ NR1H2 P55055 3/20 0.36
▸ NR1H3 Q13133 2/20 0.36
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4840289 0.92 USP2 (0.42) PARP1USP2SMN1; SMN2NR1H2PRMT5
SCHEMBL4840657 0.92 USP2 (0.42) PARP1USP2SMN1; SMN2NR1H2PRMT5
SCHEMBL4835258 0.92 USP2 (0.42) PARP1USP2SMN1; SMN2NR1H2PRMT5
SCHEMBL4835243 0.92 USP2 (0.42) PARP1USP2SMN1; SMN2NR1H2PRMT5
SCHEMBL4838964 0.92 USP2 (0.42) PARP1USP2SMN1; SMN2NR1H2PRMT5
SCHEMBL21713897 0.85 PARP1 (0.41) PARP1USP2SMN1; SMN2HSD17B10NR1H2
SCHEMBL30111484 0.83 NR1H2 (0.46) PARP1USP2SMN1; SMN2HSD17B10NR1H2
SCHEMBL28490941 0.83 PARP1 (0.48) PARP1USP2SMN1; SMN2HSD17B10NR1H2
SCHEMBL1183970 0.83 NR1H2 (0.46) PARP1USP2SMN1; SMN2HSD17B10NR1H2
SCHEMBL4844818 0.81 PARP1 (0.39) PARP1USP2SMN1; SMN2HSD17B10NR1H2

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 2330/4885USP2 3027/4885SMN1; SMN2 3305/4885

“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.

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