SCHEMBL2481796

SCHEMBL2481796

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 2/20 0.45
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
APEX1 P27695 1/20 0.42
BBOX1 O75936 7/20 0.39
SLC22A16 Q86VW1 1/20 0.39
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
CRAT P43155 1/20 0.36
MEN1 O00255 2/20 0.32
CYP1A2 P05177 2/20 0.32
KMT2A Q03164 2/20 0.32
HRH1 P35367 1/20 0.32
FFAR3 O14843 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CYP2C9 P11712 1/20 0.31

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 SCHEMBL7739 0.77
Betaine SCHEMBL31467313 0.77
Glycinebetaine SCHEMBL8678519 0.77 TSHR (0.53) CA4TSHRALDH1A1LMNAAPEX1
Glycinebetaine SCHEMBL4900209 0.77
Glycinebetaine SCHEMBL2803780 0.77 TSHR (0.53) CA4TSHRALDH1A1LMNAAPEX1
SCHEMBL12557080 0.76 TSHR (0.59) TSHRALDH1A1LMNAAPEX1BBOX1
Glycinebetaine SCHEMBL156936 0.76 TSHR (0.46) CA4TSHRALDH1A1LMNAAPEX1
SCHEMBL234229 0.76 TSHR (0.60) TSHRALDH1A1LMNAAPEX1MEN1
Glycinebetaine SCHEMBL8725957 0.75
Glycinebetaine SCHEMBL20703289 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118178224-A Anti-aging and antioxidant mask and preparation method thereof 南通大学 2024-06-14 CN disclosed
US-20240165131-A1 TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS THE CLEVELAND CLINIC FOUNDATION 2024-05-23 US disclosed
US-20240139120-A1 TREATING DISEASE AND PROMOTING WEIGHT LOSS BY INHIBITING THE TMA/FMO3/TMAO PATHWAY THE CLEVELAND CLINIC FOUNDATION 2024-05-02 US disclosed
US-11911399-B2 Treating and preventing disease with TMA and TMAO lowering agents THE CLEVELAND CLINIC FOUNDATION (US) 2024-02-27 US disclosed
WO-2024010854-A1 RAPID GENERATION OF BREATH-BASED HEALTH REPORTS AND SYSTEMS FOR USE IN THE SAME DIAGNOSE EARLY, INC. (US) 2024-01-11 WO disclosed
EP-4299064-A2 TREATING DISEASE AND PROMOTING WEIGHT LOSS BY INHIBITING THE TMA/FMO3/TMAO PATHWAY THE CLEVELAND CLINIC FOUNDATION (US) 2024-01-03 EP disclosed
US-11835503-B2 TMA-formation inhibitor treatment for elevated TMA-containing compound diseases THE CLEVELAND CLINIC FOUNDATION (US) 2023-12-05 US disclosed
EP-3641748-B1 TREATING DISEASE AND PROMOTING WEIGHT LOSS BY INHIBITING THE TMA/FMO3/TMAO PATHWAY CLEVELAND CLINIC FOUND (US) 2023-11-29 EP disclosed
US-11771659-B2 Treating disease and promoting weight loss by inhibiting the TMA/FMO3/TMAO pathway THE CLEVELAND CLINIC FOUNDATION (US) 2023-10-03 US disclosed
CN-115728256-A Seminal plasma carnitine assay kit 深圳市盛信康科技有限公司 2023-03-03 CN disclosed
US-20220065829-A1 TRIMETHYLAMINE-CONTAINING COMPOUNDS FOR DIAGNOSIS AND PREDICTION OF DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-03-03 US disclosed
CN-107121540-B Application of acylcarnitine spectrum or detection reagent thereof in prediction of onset risk of type 2 diabetes 中国科学院上海营养与健康研究所 2020-06-12 CN disclosed
US-8168823-B2 Process for the preparation of betaines LONZA LTD (CH) 2012-05-01 US disclosed
EP-2231587-B1 PROCESS FOR THE PREPARATION OF BETAINES LONZA AG (CH) 2011-09-07 EP disclosed
US-20100267986-A1 PROCESS FOR THE PREPARATION OF BETAINES LONZA LTD (CH) 2010-10-21 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 (4 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-11771659-B2 Treating disease and promoting weight loss by inhibiting the TMA/FMO3/TMAO pathway SLC5A2, SLC5A1, MAT1A CA4 2509/4885TSHR 2759/4885ALDH1A1 1973/4885
US-11911399-B2 Treating and preventing disease with TMA and TMAO lowering agents MAOB, DAO, ESD CA4 1697/4885TSHR 3915/4885ALDH1A1 239/4885
US-20240139120-A1 TREATING DISEASE AND PROMOTING WEIGHT LOSS BY INHIBITING THE TMA/FMO3/TMAO PATHWAY SLC5A2, SLC5A1, MAT1A CA4 2509/4885TSHR 2759/4885ALDH1A1 1973/4885
US-20240165131-A1 TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS MAOB, DAO, ESD CA4 1697/4885TSHR 3915/4885ALDH1A1 239/4885

“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.