SCHEMBL1696017

SCHEMBL1696017

O=C(O)C(NCc1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ACP3 P15309 3/20 0.54
MEP1B Q16820 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.48
GABRB1 P18505 1/20 0.44
GABRB2 P47870 1/20 0.44
CNR2 P34972 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL27827175 1.00 MEN1 (0.59) MEN1KMT2AACP3MEP1BSMN1; SMN2
SCHEMBL19248981 1.00 MEN1 (0.59) MEN1KMT2AACP3MEP1BSMN1; SMN2
SCHEMBL6243334 0.90 ALDH1A1 (0.55) MEN1KMT2AACP3MEP1B
SCHEMBL16664378 0.88 ALDH1A1 (0.50) MEN1KMT2ACYP1A2
SCHEMBL2485602 0.88 ALDH1A1 (0.50) MEN1KMT2ACYP1A2
SCHEMBL2485050 0.88 SMN1; SMN2 (0.59) MEN1KMT2AMEP1BSMN1; SMN2CNR2
SCHEMBL28387051 0.88 LMNA (0.56) MEN1KMT2AMEP1BSMN1; SMN2
SCHEMBL11350168 0.88 CYP1A2 (0.56) MEN1KMT2ASMN1; SMN2GABRB1GABRB2
SCHEMBL4427598 0.88 CNR2 (0.51) MEN1KMT2AACP3MEP1BCNR2
SCHEMBL29228705 0.88 ATM (0.52) MEN1KMT2ASMN1; SMN2GABRB1GABRB2

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102264734-B Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMA SPA 2015-06-17 CN claimed
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP claimed
US-8455646-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 US claimed
CN-102264734-A Alkaloid aminoester derivatives and medicinal composition thereof 2011-11-30 CN claimed
CN-102070576-A 1-indanone-3-acetic acid compound as well as preparation method and application of 1-indanone-3-acetic acid compound UNIV SICHUAN 2011-05-25 CN claimed
CN-101993426-A 3-aryl glutaric acid mono-amide compound as well as preparation method and application thereof UNIV SICHUAN 2011-03-30 CN claimed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 US claimed
WO-2010072338-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-01 WO claimed
JP-57064655-A None JP disclosed
CN-118026886-A Synthesis method of various functionalized beta-amino acid esters 国科大杭州高等研究院 2024-05-14 CN disclosed
CN-110683960-A Synthesis method of (R) -3-aminobutanol 台州达辰药业有限公司 2020-01-14 CN disclosed
CN-107840859-A The cobalt complex and synthetic method that a kind of toluene and 2,2 ' bipyridyls are constructed 桂林理工大学 2018-03-27 CN disclosed
CN-107057078-A Novel magnetic polymeric material and synthetic method that a kind of toluene and 4,4 ' bipyridyls are constructed 桂林理工大学 2017-08-18 CN disclosed
CN-107056847-A Novel magnetic materials and synthetic method that a kind of toluene and 4,4 ' bipyridyls are constructed 桂林理工大学 2017-08-18 CN disclosed
WO-2010072338-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-01 WO disclosed
CN-1846696-A Method for producing enantiomer-free n-methyl-n- [(1s)-1-phenyl- 2-((3s)- 3-hydroxypyrrolidine- 1-yl)ethyl]- 2,2-diphenyl acetamide MERCK PATENT GMBH (DE) 2006-10-18 CN disclosed
US-4502883-A CONTAINING CHLORINE IDEMITSU KOSAN COMPANY LIMITED (JP) 1985-03-05 US disclosed
JP-S5764655-A NOVEL BENZOYLAMINOPHENYLCARBOXYLIC ACID DERIVATIVE, ITS PREPARATION, AND DRUG COMPOSITION COMPRISING IT NIPPON ZOKI PHARMACEUT CO LTD 1982-04-19 JP disclosed
US-4218475-A ANTICHOLESTEROL AGENTS THE DOW CHEMICAL COMPANY (US) 1980-08-19 US disclosed
US-3957850-A ANALGESICS, ANTIINFLAMMATORY AGENTS BOUCHARA EMILE 1976-05-18 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-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG MEN1 4121/4885KMT2A 1874/4885ACP3 4235/4885

“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.