N,N-Dimethylethanaminium

N,N-Dimethylethanaminium

SCHEMBL446715

C=CC(=O)NCC.CCN(C)C

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
TGM2 P21980 3/20 0.35
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
MCL1 Q07820 1/20 0.30
SLC6A19 Q695T7 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
N,N-Dimethylethanaminium SCHEMBL7058041 0.98 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
Trimethylammonium SCHEMBL156970 0.91 ALDH1A1 (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
Trimethylammonium SCHEMBL3296333 0.89 ALDH1A1 (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
Trimethylammonium SCHEMBL28049116 0.89 ALDH1A1 (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
Trimethylammonium SCHEMBL1232762 0.89 ALDH1A1 (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
Trimethylammonium SCHEMBL867400 0.89 ALDH1A1 (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL15005 0.89
SCHEMBL17047583 0.89 TSHR (0.62) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL409528 0.87 ALDH1A1 (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
Hydrochloric Acid SCHEMBL3129031 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1825884-B1 Brightening and/or colouring agent with reduced potential for irritation HENKEL AG & CO KGAA (DE) 2017-08-16 EP claimed
EP-1813260-B1 Bleaching and/or colouring agent with reduced potential for irritation HENKEL AG & CO KGAA (DE) 2017-05-31 EP claimed
EP-1825884-A2 Brightening and/or colouring agent with reduced potential for irritation Henkel Kommanditgesellschaft auf Aktien (DE) 2007-08-29 EP claimed
EP-1813260-A2 Bleaching and/or colouring agent with reduced potential for irritation Henkel Kommanditgesellschaft auf Aktien (DE) 2007-08-01 EP claimed
EP-1825884-B1 Brightening and/or colouring agent with reduced potential for irritation HENKEL AG & CO KGAA (DE) 2017-08-16 EP disclosed
EP-1813260-B1 Bleaching and/or colouring agent with reduced potential for irritation HENKEL AG & CO KGAA (DE) 2017-05-31 EP disclosed
EP-3052197-A1 PERFORMANCE-ENHANCED HAIR TREATMENT COMPOSITION Henkel AG & Co. KGaA (DE) 2016-08-10 EP disclosed
US-20160199282-A1 PERFORMANCE-ENHANCED HAIR TREATMENT COMPOSITION HENKEL AG & CO. KGAA (DE) 2016-07-14 US disclosed
EP-2164456-B1 HAIR TREATMENT AGENT CONTAINING OLIGO-PEPTIDES HENKEL AG & CO KGAA (DE) 2016-05-11 EP disclosed
WO-2015062596-A1 HAIR TREATMENT AGENT CONTAINING L-CARNITINE OR AN L-CARNITINE DERIVATIVE AND AN OLIGOPEPTIDE CONTAINING THE SEQUENCE GLU-GLU-GLU HENKEL AG & CO. KGAA (DE) 2015-05-07 WO disclosed
WO-2015048951-A1 PERFORMANCE-ENHANCED HAIR TREATMENT COMPOSITION HENKEL AG & CO. KGAA (DE) 2015-04-09 WO disclosed
US-20140271520-A1 NON-WEIGHING HAIR PREPARATIONS HENKEL AG & CO., KGAA (DE) 2014-09-18 US disclosed
US-20030195135-A1 Use of cationically modified, particulate, hydrophobic polymers as an additive for rinsing, cleaning and impregnating agents for hard surfaces BASF AKTIENGESELLSCHAFT (DE) 2003-10-16 US disclosed
US-20030171246-A1 Use of cationically modified, particle-shaped, hydrophobic polymers as addition agents in textile rinsing or care products and as addition agents in detergents BASF AKTIENGESELLSCHAFT (DE) 2003-09-11 US disclosed
US-6616807-B1 Cationic polymeric retention aids are used for increasing the retention of dry strength agents comprising cationic, anionic and/or amphoteric starch BASF AKTIENGESELLSCHAFT (DE) 2003-09-09 US disclosed
WO-2003053298-A2 HYDROPHILIC OPEN-CELLED RESILIENT LATEX FOAMS BASF AKTIENGESELLSCHAFT (DE) 2003-07-03 WO disclosed
US-6576086-B1 Reacting amino- or ammonium-containing polymers with sizing agent; drainage of interfering substances BASF AKTIENGESELLSCHAFT (DE) 2003-06-10 US disclosed
US-6235835-B1 STARCH IS MODIFIED WITH AT LEAST ONE CATIONIC POLYMER BASF AKTIENGESELLSCHAFT (DE) 2001-05-22 US disclosed
US-6160050-A Polymer-modified starch, method for its production, and its use BASF AKTIENGESELLSCHAFT (DE) 2000-12-12 US disclosed
US-5851300-A Cationic modification of starch and use of the cationically modified starch BASF AKTIENGESELLSCHAFT (DE) 1998-12-22 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 (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-20160199282-A1 PERFORMANCE-ENHANCED HAIR TREATMENT COMPOSITION KRT18, YWHAZ, PHYKPL TSHR 3495/4885ALDH1A1 4298/4885MAPK1 3029/4885
US-20140271520-A1 NON-WEIGHING HAIR PREPARATIONS KRT18, KRTCAP2, PSMB10 TSHR 3113/4885ALDH1A1 3819/4885MAPK1 1612/4885

“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.