Glycinebetaine

Glycinebetaine

SCHEMBL1617824

C=CC.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 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
BBOX1 O75936 9/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
APEX1 P27695 1/20 0.40
SLC22A16 Q86VW1 1/20 0.38
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH1 P35367 1/20 0.31
KMT2A Q03164 1/20 0.31
CRAT P43155 1/20 0.31
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
CA4 P22748 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
Glycinebetaine SCHEMBL4618092 0.87 TSHR (0.43) TSHRBBOX1ALDH1A1LMNAAPEX1
Glycinebetaine SCHEMBL8651387 0.87 TSHR (0.48) TSHRBBOX1ALDH1A1LMNAAPEX1
Glycinebetaine SCHEMBL8678519 0.87 TSHR (0.53) TSHRBBOX1ALDH1A1LMNAAPEX1
Glycinebetaine SCHEMBL2803780 0.87 TSHR (0.53) TSHRBBOX1ALDH1A1LMNAAPEX1
Glycinebetaine SCHEMBL4900209 0.87
Betaine SCHEMBL31467313 0.87
Glycinebetaine SCHEMBL7739 0.87
Glycinebetaine SCHEMBL2520108 0.86 LMNA (0.46) TSHRBBOX1ALDH1A1LMNAAPEX1
Glycinebetaine SCHEMBL10425194 0.84 TSHR (0.48) TSHRBBOX1ALDH1A1LMNAAPEX1
Glycinebetaine SCHEMBL4255367 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5061383-A NONTOXIC FIRE SUPPRESSANT FRILOUX EDWARD E (US) 1991-10-29 US claimed
US-8735446-B2 Vanillin acetals and sensory stimulant composition containing the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-05-27 US disclosed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
EP-1761238-B1 MENTHOL DERIVATIVE AND COOLING AGENT COMPOSITION COMPRISING THE SAME TAKASAGO PERFUMERY CO LTD (JP) 2012-09-05 EP disclosed
US-20120219512-A1 VANILLIN ACETALS AND SENSORY STIMULANT COMPOSITION CONTAINING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-08-30 US disclosed
US-8236970-B2 Vanillin acetals TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-08-07 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
US-7923585-B2 Menthol derivative and cooling agent composition comprising the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-04-12 US disclosed
EP-1896557-B1 FLAVOR AND FRAGRANCE COMPOSITION TAKASAGO PERFUMERY CO LTD (JP) 2010-05-05 EP disclosed
US-20090275669-A1 Flavor and fragrance composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-11-05 US disclosed
US-20090208427-A1 Vanillin Acetals and Sensory Stimulant Composition Containing the Same TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-08-20 US disclosed
EP-1902043-A1 VANILLIN ACETALS AND SENSORY STIMULANT COMPOSITION CONTAINING THE SAME Takasago International Corporation (JP) 2008-03-26 EP disclosed
EP-1896557-A1 FLAVOR AND FRAGRANCE COMPOSITION Takasago International Corporation (JP) 2008-03-12 EP disclosed
US-20070225378-A1 Menthol Dearivative and Cooling Agent Composition Comprising the Same TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-09-27 US disclosed
EP-1761238-A1 MENTHOL DERIVATIVE AND COOLING AGENT COMPOSITION COMPRISING THE SAME Takasago International Corporation (JP) 2007-03-14 EP disclosed
WO-2007004740-A1 VANILLIN ACETALS AND SENSORY STIMULANT COMPOSITION CONTAINING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-01-11 WO disclosed
WO-2006137556-A1 FLAVOR AND FRAGRANCE COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-12-28 WO disclosed
WO-2005115325-A1 MENTHOL DERIVATIVE AND COOLING AGENT COMPOSITION COMPRISING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-12-08 WO disclosed
EP-0689582-A1 ACIDIC LIQUID DETERGENT COMPOSITIONS FOR BATHROOMS THE PROCTER & GAMBLE COMPANY (US) 1996-01-03 EP disclosed
WO-1994021772-A1 ACIDIC LIQUID DETERGENT COMPOSITIONS FOR BATHROOMS THE PROCTER & GAMBLE COMPANY (US) 1994-09-29 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 (5 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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 TSHR 2479/4885BBOX1 1733/4885ALDH1A1 520/4885
US-20120219512-A1 VANILLIN ACETALS AND SENSORY STIMULANT COMPOSITION CONTAINING THE SAME TRPA1, TRPV1, TAS2R5 TSHR 4182/4885BBOX1 1805/4885ALDH1A1 70/4885
US-20090208427-A1 Vanillin Acetals and Sensory Stimulant Composition Containing the Same TRPA1, TRPV1, TAS2R5 TSHR 4182/4885BBOX1 1805/4885ALDH1A1 70/4885
US-20070225378-A1 Menthol Dearivative and Cooling Agent Composition Comprising the Same TRPM7, TRPA1, TRPM2 TSHR 3080/4885BBOX1 503/4885ALDH1A1 443/4885
US-20090275669-A1 Flavor and fragrance composition TAS2R40, TAS2R1, TAS2R50 TSHR 3954/4885BBOX1 1554/4885ALDH1A1 77/4885

“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.