SCHEMBL22115437

SCHEMBL22115437

CN(C)CC(=O)[O-].CN(C)CC(=O)[O-].[Ca+2]

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. 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 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA4 P22748 2/20 0.37
FFAR3 O14843 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
CA1 P00915 4/20 0.33
CASP1 P29466 1/20 0.33
CA2 P00918 1/20 0.33
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EGFR P00533 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
Zinc Ion SCHEMBL377746 0.94 BBOX1 (0.37) BBOX1KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL8148261 0.94 BBOX1 (0.37) BBOX1KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL22150642 0.94
SCHEMBL1616806 0.94
Potassium Ion SCHEMBL156772 0.94
Lithium Ion SCHEMBL18813428 0.94
Hydrochloric Acid SCHEMBL4354105 0.91
Tetramethylammonium Ion SCHEMBL28756793 0.88 BBOX1 (0.44) BBOX1KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL692963 0.75 BBOX1 (0.37) BBOX1KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL29276294 0.75 CYP2C19 (0.41) BBOX1KDM4EMAPTALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11666071-B2 Compound salt of N,N-dimethylglycine and an organic acid and composition and use thereof Guangzhou Insighter Biotechnology Co., Ltd. (CN) 2023-06-06 US disclosed
EP-3670493-B1 N,N-DIMETHYLGLYCINE ORGANIC ACID COMPOUND SALT AND COMPOSITION AND APPLICATION THEREOF GUANGZHOU INSIGHTER BIOTECHNOLOGY CO LTD (CN) 2021-12-01 EP disclosed
EP-3674286-B1 CONJUGATE ACID SALT OF N,N-DIMETHYLGLYCINE AND ORGANIC ACID, AND COMPOSITION AND APPLICATION THEREOF GUANGZHOU INSIGHTER BIOTECHNOLOGY CO LTD (CN) 2021-08-11 EP disclosed
US-10912749-B2 Conjugate acid salt of N,N-dimethylglycine with organic acid, and composition and use thereof Guangzhou Insighter Biotechnology Co., Ltd. (CN) 2021-02-09 US disclosed
US-20200296994-A1 THE COMPOUND SALT OF N,N-DIMETHYLGLYCINE AND AN ORGANIC ACID AND COMPOSITION AND USE THEREOF Guangzhou Insighter Biotechnology Co., Ltd. (CN) 2020-09-24 US disclosed
US-20200297675-A1 CONJUGATE ACID SALT OF N,N-DIMETHYLGLYCINE WITH ORGANIC ACID, AND COMPOSITION AND USE THEREOF Guangzhou Insighter Biotechnology Co., Ltd. (CN) 2020-09-24 US disclosed
EP-3674286-A1 CONJUGATE ACID SALT OF N,N-DIMETHYLGLYCINE AND ORGANIC ACID, AND COMPOSITION AND APPLICATION THEREOF Guangzhou Insighter Biotechnology Co., Ltd. (CN) 2020-07-01 EP disclosed
EP-3670493-A1 N,N-DIMETHYLGLYCINE ORGANIC ACID COMPOUND SALT AND COMPOSITION AND APPLICATION THEREOF Guangzhou Insighter Biotechnology Co., Ltd. (CN) 2020-06-24 EP 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 (2 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-20200297675-A1 CONJUGATE ACID SALT OF N,N-DIMETHYLGLYCINE WITH ORGANIC ACID, AND COMPOSITION AND USE THEREOF SLC7A1, SLC7A5, SLC6A15 BBOX1 1650/4885KDM4E 4317/4885MAPT 895/4885
US-10912749-B2 Conjugate acid salt of N,N-dimethylglycine with organic acid, and composition and use thereof SLC7A1, SLC7A5, SLC6A15 BBOX1 1650/4885KDM4E 4317/4885MAPT 895/4885

“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.