SCHEMBL4836138

SCHEMBL4836138

CCOC(=O)C(=NOC)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GLO1 Q04760 1/20 0.40
TSHR P16473 1/20 0.39
GAA P10253 3/20 0.39
ALOX15 P16050 1/20 0.39
ABCB1 P08183 1/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PLIN1 O60240 1/20 0.36
POLB P06746 1/20 0.36
PLIN5 Q00G26 1/20 0.36

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
SCHEMBL9076933 0.89 GLO1 (0.45) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL9076929 0.89 GLO1 (0.45) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL16767840 0.89 GLO1 (0.45) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL8820120 0.87 SOAT1 (0.38) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL8820126 0.87 SOAT1 (0.38) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL10680452 0.87 SOAT1 (0.38) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL10352005 0.87 ALOX15 (0.43) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL7805500 0.84 ALDH1A1 (0.42) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL9648194 0.84 ABCB1 (0.36) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL8626482 0.84 ABCB1 (0.36) ALDH1A1MAPTLMNAHSD17B10NPSR1

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 19 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
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
EP-0728748-B1 BENZODIAZEPINE DERIVATIVES SHIONOGI & CO (JP) 2002-03-06 EP disclosed
EP-0811602-B1 Process for the preparation of salts of the aminomalonic ester HUELS CHEMISCHE WERKE AG (DE) 1999-07-28 EP disclosed
US-5847197-A Process for the preparation of aminomalonic acid ester salts HUELS AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
US-5776929-A GASTRIN INHIBITOR; GASTROINTESTINAL DISORDERS SHIONOGI & CO., LTD. (JP) 1998-07-07 US disclosed
EP-0811602-A1 Process for the preparation of salts of the aminomalonic ester HÜLS AKTIENGESELLSCHAFT (DE) 1997-12-10 EP disclosed
CN-1143362-A Novel benzodizaepine derivative SHIONOGI & CO (JP) 1997-02-19 CN disclosed
EP-0728748-A1 NOVEL BENZODIAZEPINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1996-08-28 EP disclosed
EP-0257294-B1 E/Z-ISOMERIC MIXTURES AND PURE Z-ISOMERS OF N-ALPHA-(2-CYANO-2-ALKOXYIMINOACETYL) AMINO-ACID DERIVATIVES AND LIKE PEPTIDES BAYER AG (DE) 1990-09-12 EP disclosed
EP-0257295-B1 (Z)-2-CYANO-2-OXIMINO-ACETYL CHLORIDES, AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1990-08-29 EP disclosed
US-4904811-A (Z)-2-cyano-2-oximino-acetyl chlorides BAYER AKTIENGESELLSCHAFT (DE) 1990-02-27 US disclosed
EP-0257295-A1 (Z)-2-cyano-2-oximino-acetyl chlorides, and process for their preparation BAYER AG (DE) 1988-03-02 EP disclosed
EP-0257294-A1 E/Z-isomeric mixtures and pure Z-isomers of N-alpha-(2-cyano-2-alkoxyiminoacetyl) amino-acid derivatives and like peptides BAYER AG (DE) 1988-03-02 EP 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 ALDH1A1 215/4885MAPT 1793/4885LMNA 3401/4885

“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.