Glycinebetaine

Glycinebetaine

SCHEMBL4599013

CCN(C)C.C[N+](C)(C)CC(=O)[O-]

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

BHMTBHMT2

The experimentally established mechanism targets of Glycinebetaine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 9/20 0.42
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
APEX1 P27695 1/20 0.39
SLC22A16 Q86VW1 1/20 0.37
FFAR3 O14843 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
MEN1 O00255 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32

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
Glycinebetaine SCHEMBL20337331 0.85 TSHR (0.48) BBOX1TSHRALDH1A1LMNAAPEX1
Betaine SCHEMBL31467313 0.84
Glycinebetaine SCHEMBL8678519 0.84 TSHR (0.53) BBOX1TSHRALDH1A1LMNAAPEX1
Glycinebetaine SCHEMBL4900209 0.84
Glycinebetaine SCHEMBL7739 0.84
Glycinebetaine SCHEMBL2803780 0.84 TSHR (0.53) BBOX1TSHRALDH1A1LMNAAPEX1
Glycinebetaine SCHEMBL9785894 0.82 TSHR (0.46) BBOX1TSHRALDH1A1LMNAAPEX1
Glycinebetaine SCHEMBL18957544 0.82 FFAR3 (0.46) BBOX1TSHRALDH1A1LMNAAPEX1
Glycinebetaine SCHEMBL8725957 0.82
Glycinebetaine SCHEMBL4457941 0.82 TSHR (0.50) BBOX1TSHRALDH1A1LMNAAPEX1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345970-B1 USE OF AMPHOTERIC POLYSACCHARIDE FOR TREATING TEXTILE FIBRE ARTICLES RHODIA CHIMIE SA (FR) 2008-04-16 EP claimed
US-7074919-B2 Use of amphoteric polysaccharide for treating textile fiber articles Chimie, Rhodia (FR) 2006-07-11 US claimed
US-20040067864-A1 Use of amphoteric polysaccharide for treating textile fibre articles RHODIA CHIMIE (FR) 2004-04-08 US claimed
US-20080306253-A1 MATRIX MADE OF A POLYSACCHARIDE MODIFIED UNDER AN ELECTRON BEAM WITH A FUNCTIONAL ORGANOSILICON COMPOUND RHODIA CHIMIE (FR) 2008-12-11 US disclosed
EP-1345970-B1 USE OF AMPHOTERIC POLYSACCHARIDE FOR TREATING TEXTILE FIBRE ARTICLES RHODIA CHIMIE SA (FR) 2008-04-16 EP disclosed
US-20070128142-A1 Emulsion for conveying a hydrophobic active material to a substrate in aqueous medium RHODIA CHIMIE (FR) 2007-06-07 US disclosed
US-7074919-B2 Use of amphoteric polysaccharide for treating textile fiber articles Chimie, Rhodia (FR) 2006-07-11 US disclosed
US-20060107469-A1 Formulations designed to be applied on keratinous material and to be rinsed RHODIA CHIMIE (FR) 2006-05-25 US disclosed
US-20050281882-A1 Matrix made of a polysaccharide modified under an electron beam with a functional organosilicon compound RHODIA CHIMIE (FR) 2005-12-22 US disclosed
EP-1553917-A1 FORMULATIONS DESIGNED TO BE APPLIED ON KERATINOUS MATERIAL AND TO BE RINSED Rhodia Chimie (FR) 2005-07-20 EP disclosed
EP-1537271-A2 TEXTILE RINSING FORMULATION RHODIA CHIMIE (FR) 2005-06-08 EP disclosed
US-20050097678-A1 Polymer-based formulation for textile rinsing RHODIA CHIMIE (FR) 2005-05-12 US disclosed
US-20050028293-A1 Rinsing formulation for textiles RHODIA CHIMIE (FR) 2005-02-10 US disclosed
US-20040067864-A1 Use of amphoteric polysaccharide for treating textile fibre articles RHODIA CHIMIE (FR) 2004-04-08 US disclosed
WO-2004022839-A2 TEXTILE RINSING FORMULATION RHODIA CHIMIE (FR) 2004-03-18 WO disclosed
WO-2004022680-A2 POLYMER-BASED TEXTILE RINSING FORMULATION RHODIA CHIMIE (FR) 2004-03-18 WO disclosed
WO-2004022014-A1 FORMULATIONS DESIGNED TO BE APPLIED ON KERATINOUS MATERIAL AND TO BE RINSED RHODIA CHIMIE (FR) 2004-03-18 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 (3 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-20060107469-A1 Formulations designed to be applied on keratinous material and to be rinsed KRT18, DSG1, CUTA BBOX1 4124/4885TSHR 4620/4885ALDH1A1 2379/4885
US-20050281882-A1 Matrix made of a polysaccharide modified under an electron beam with a functional organosilicon compound GYS2, MGAM, GYS1 BBOX1 1611/4885TSHR 4750/4885ALDH1A1 4359/4885
US-20070128142-A1 Emulsion for conveying a hydrophobic active material to a substrate in aqueous medium PHOSPHO1, PMM2, SAMM50 BBOX1 2903/4885TSHR 4681/4885ALDH1A1 4337/4885

“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.