SCHEMBL681236

SCHEMBL681236

CC(=O)C(C)C(N)(N)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC7A5 Q01650 1/20 0.31
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31
TP53 P04637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
FFAR3 O14843 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30

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
SCHEMBL2825358 0.75
SCHEMBL7131721 0.73 CYP1A2 (0.35) CYP1A2CYP2D6
SCHEMBL28364614 0.73 GABRR1 (0.33) CYP1A2CYP2D6ARG1ARG2
SCHEMBL9720660 0.72
SCHEMBL442847 0.72
SCHEMBL740307 0.72
SCHEMBL8473650 0.70 TSHR (0.38) CYP2D6TP53ALDH1A1TSHRFFAR3
SCHEMBL31288699 0.70 SLC7A5 (0.34) CYP1A2CYP2D6SLC7A5
SCHEMBL30273061 0.70 GABRR1 (0.35) CYP1A2CYP2D6ARG1ARG2ALDH1A1
SCHEMBL2330301 0.70 NOS1 (0.33) CYP1A2CYP2D6ARG1ARG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025109220-A1 METHOD OF PURIFICATION OF ECTOINE AND COMPOSITION THEREOF METABOLIC EXPLORER (FR) 2025-05-30 WO claimed
CN-110461321-A Composition containing N-acetyl diaminobutyric acid BITOP AG 2019-11-15 CN claimed
EP-3558287-A2 N-ACETYLDIAMINOBUTYRIC ACID-CONTAINING COMPOSITION Bitop AG (DE) 2019-10-30 EP claimed
CN-104583232-A Glucagon analogs exhibiting GIP receptor activity UNIV INDIANA RES & TECH CORP 2015-04-29 CN claimed
WO-2025109220-A1 METHOD OF PURIFICATION OF ECTOINE AND COMPOSITION THEREOF METABOLIC EXPLORER (FR) 2025-05-30 WO disclosed
WO-2024223833-A1 GENETICALLY MODIFIED MICROORGANISM FOR PRODUCING ECTOINE C-LECTA GMBH (DE) 2024-10-31 WO disclosed
CN-118667736-A Recombinant escherichia coli for synthesizing hydroxytetrahydropyrimidine and application thereof 江南大学 2024-09-20 CN disclosed
CN-110381917-B Use of compatible solutes 默克专利股份有限公司 2023-10-31 CN disclosed
CN-114806974-B Salmonella strain and application thereof 中国科学院微生物研究所 2023-08-08 CN disclosed
CN-115461470-A Method for separating nuclei and cells from tissue 10X基因组学有限公司 2022-12-09 CN disclosed
CN-114806974-A Halomonas strain and application thereof 中国科学院微生物研究所 2022-07-29 CN disclosed
EP-2970511-B1 INSULIN-INCRETIN CONJUGATES UNIV INDIANA RES & TECH CORP (US) 2020-09-30 EP disclosed
WO-2009010367-A2 AGENTS COMPRISING AN ANTI-IRRITANT ACTIVE SUBSTANCE HENKEL AG & CO. KGAA (DE) 2009-01-22 WO disclosed
WO-2008017734-A1 POLYMYXIN DERIVATIVES AND USES THEREOF NORTHERN ANTIBIOTICS OY (FI) 2008-02-14 WO disclosed
CN-1303991-C Stabilized pharmaceutical preparations of gamma-aminobutyric acid derivative process for preparing the same WARNER LAMBERT CO (US) 2007-03-14 CN disclosed
WO-2006029712-A1 POLYALKOXYLATED DIAMINOBENZENES FOR USE AS DEVELOPERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-03-23 WO disclosed
US-20050201955-A1 Use of compatible solutes for inhibiting the release of ceramides SUSONITY Commercial GmbH (DE) 2005-09-15 US disclosed
CN-1301155-A Stable pharmaceutical formulation of gamma-aminobutyric acid derivatives and process for preparing the same WARNER LAMBERT CO (US) 2001-06-27 CN disclosed
EP-0749429-A1 3,5-DISUBSTITUTED AND 3,5,6-TRISUBSTITUTED 2-ISOXAZOLINES AND ISOXAZOLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-27 EP disclosed
WO-1995024397-A1 3,5-DISUBSTITUTED AND 3,5,6-TRISUBSTITUTED 2-ISOXAZOLINES AND ISOXAZOLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-14 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-20050201955-A1 Use of compatible solutes for inhibiting the release of ceramides CERT1, UGCG, CERS2 CYP1A2 4709/4885CYP2D6 4827/4885SLC7A5 266/4885

“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.