SCHEMBL4837228

SCHEMBL4837228

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PARP1 P09874 2/20 0.38
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KAT7 O95251 1/20 0.35
▸ SETD7 Q8WTS6 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ EPHX2 P34913 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
SCHEMBL4837223 1.00 NR1H2 (0.39) NR1H2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4843401 1.00 NR1H2 (0.39) NR1H2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4840657 0.86 USP2 (0.42) NR1H2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4835243 0.86 USP2 (0.42) NR1H2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4835258 0.86 USP2 (0.42) NR1H2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4838964 0.86 USP2 (0.42) NR1H2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4840289 0.86 USP2 (0.42) NR1H2ALDH1A1MAPTMEN1KMT2A
SCHEMBL17068111 0.82 NR1H2 (0.43) NR1H2ALDH1A1MAPTMEN1KMT2A
SCHEMBL18342443 0.82 NR1H2 (0.43) NR1H2ALDH1A1MAPTMEN1KMT2A
SCHEMBL18342442 0.82 NR1H2 (0.43) NR1H2ALDH1A1MAPTMEN1KMT2A

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 NR1H2 498/4885ALDH1A1 215/4885MAPT 1793/4885

“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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