Glycinebetaine

Glycinebetaine

SCHEMBL2133338

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

nearest known ligand 0.41

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 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.41
FFAR1 O14842 1/20 0.41
MAPT P10636 1/20 0.40
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
CA2 P00918 1/20 0.39
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
ACE2 Q9BYF1 1/20 0.38
CA1 P00915 2/20 0.38
NFKB1 P19838 1/20 0.37
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 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
Glycinebetaine SCHEMBL2132643 1.00 GPR84 (0.41) GPR84FFAR1MAPTLCKPPARD
Glycinebetaine SCHEMBL3889766 1.00 GPR84 (0.41) GPR84FFAR1MAPTLCKPPARD
Glycinebetaine SCHEMBL156318 1.00 GPR84 (0.41) GPR84FFAR1MAPTLCKPPARD
Glycinebetaine SCHEMBL2135218 1.00 GPR84 (0.41) GPR84FFAR1MAPTLCKPPARD
Glycinebetaine SCHEMBL2131138 1.00 GPR84 (0.41) GPR84FFAR1MAPTLCKPPARD
Glycinebetaine SCHEMBL1065800 1.00 GPR84 (0.41) GPR84FFAR1MAPTLCKPPARD
Glycinebetaine SCHEMBL2131980 0.92 FABP3 (0.46) FFAR1MAPTPPARDNPSR1
Betaine SCHEMBL22534547 0.88 TSHR (0.44) GPR84FFAR1MAPTLCKPPARD
Glycinebetaine SCHEMBL6416801 0.88 ACE2 (0.43) GPR84FFAR1MAPTLCKPPARD
Glycinebetaine SCHEMBL1893593 0.88 CHRM1 (0.39) GRIK1GRIK2NFKB1SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150315712-A1 CLEANING COMPOSITION FOR METAL ARTICLES PARKER-HANNIFIN CORPORATION 2015-11-05 US disclosed
US-9114088-B2 Cosmetic preparation for hair and method for application thereof HOYU CO., LTD. (JP) 2015-08-25 US disclosed
WO-2014092756-A1 CLEANING COMPOSITION FOR METAL ARTICLES PARKER-HANNIFIN CORPORATION (US) 2014-06-19 WO disclosed
US-8288329-B2 Hair-treatment composition and hair-treatment method using same HOYU CO., LTD (JP) 2012-10-16 US disclosed
US-20120207689-A1 COSMETIC PREPARATION FOR HAIR AND METHOD FOR APPLICATION THEREOF HOYU CO., LTD. (JP) 2012-08-16 US disclosed
US-20120100091-A1 HAIR-TREATMENT COMPOSITION AND HAIR-TREATMENT METHOD USING SAME HOYU CO., LTD. (JP) 2012-04-26 US disclosed
US-7501390-B2 Concentrated neutral detergent composition comprising an alkanesulfonic acid salt, a polyoxyalkylene alkyle ether, an alkyl polyglucoside, and water JOHNSONDIVERSEY, INC. (US) 2009-03-10 US disclosed
EP-1725639-B1 CONCENTRATED NEUTRAL DETERGENT COMPOSITION JOHNSON DIVERSEY INC (US) 2009-01-07 EP disclosed
US-20070287649-A1 Concentrated Neutral Detergent Composition DIVERSEY, INC. (FORMERLY KNOWN AS JOHNSONDIVERSEY, INC.) 2007-12-13 US disclosed
EP-1725639-A1 CONCENTRATED NEUTRAL DETERGENT COMPOSITION JohnsonDiversey, Inc. (US) 2006-11-29 EP disclosed
WO-2005093028-A1 CONCENTRATED NEUTRAL DETERGENT COMPOSITION JOHNSONDIVERSEY, INC. (US) 2005-10-06 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-20120100091-A1 HAIR-TREATMENT COMPOSITION AND HAIR-TREATMENT METHOD USING SAME AADAT, BHMT2, BCAT2 GPR84 202/4885FFAR1 49/4885MAPT 4022/4885

“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.