SCHEMBL4835258

SCHEMBL4835258

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NR1H2 P55055 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PRMT5 O14744 3/20 0.39
▸ WDR77 Q9BQA1 3/20 0.39
▸ PARP1 P09874 2/20 0.39
▸ GPR119 Q8TDV5 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ HPGD P15428 1/20 0.37

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
SCHEMBL4838964 1.00 USP2 (0.42) USP2SMN1; SMN2NR1H2ALDH1A1MAPT
SCHEMBL4840657 1.00 USP2 (0.42) USP2SMN1; SMN2NR1H2ALDH1A1MAPT
SCHEMBL4840289 1.00 USP2 (0.42) USP2SMN1; SMN2NR1H2ALDH1A1MAPT
SCHEMBL4835243 1.00 USP2 (0.42) USP2SMN1; SMN2NR1H2ALDH1A1MAPT
SCHEMBL4840301 0.92 PARP1 (0.38) USP2SMN1; SMN2NR1H2ALDH1A1MAPT
SCHEMBL4837228 0.86 NR1H2 (0.39) USP2SMN1; SMN2NR1H2ALDH1A1MAPT
SCHEMBL4843401 0.86 NR1H2 (0.39) USP2SMN1; SMN2NR1H2ALDH1A1MAPT
SCHEMBL4837223 0.86 NR1H2 (0.39) USP2SMN1; SMN2NR1H2ALDH1A1MAPT
SCHEMBL17068111 0.84 NR1H2 (0.43) USP2SMN1; SMN2NR1H2ALDH1A1MAPT
SCHEMBL18342442 0.84 NR1H2 (0.43) USP2SMN1; SMN2NR1H2ALDH1A1MAPT

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 USP2 3027/4885SMN1; SMN2 3305/4885NR1H2 498/4885

“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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