N,N-Dimethylethanaminium

N,N-Dimethylethanaminium

SCHEMBL446053

C=C(C)C(=O)NCCC.CCN(C)C

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
EPHX1 P07099 2/20 0.35
PAOX Q6QHF9 1/20 0.34
MCL1 Q07820 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
KDM4E B2RXH2 3/20 0.34
DNM1 Q05193 2/20 0.33
TGFBR1 P36897 1/20 0.32
KDM4C Q9H3R0 1/20 0.32

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 SCHEMBL7062326 0.98 NPC1 (0.39) NPC1GAAMAPTRAB9ASMN1; SMN2
Trimethylammonium SCHEMBL21743 0.92 NPC1 (0.42) NPC1GAAMAPTRAB9ASMN1; SMN2
Trimethylammonium SCHEMBL27347511 0.90 NPC1 (0.41) NPC1GAAMAPTRAB9ASMN1; SMN2
Trimethylammonium SCHEMBL635942 0.90 NPC1 (0.41) NPC1GAAMAPTRAB9ASMN1; SMN2
Trimethylammonium SCHEMBL869520 0.90 NPC1 (0.41) NPC1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL149370 0.89
Trimethylammonium SCHEMBL28199923 0.88 NPC1 (0.40) NPC1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL5193803 0.88 ALDH1A1 (0.37) NPC1GAAMAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3148805 0.87 MMP1 (0.41) NPC1GAAMAPTRAB9ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL27993992 0.87 MMP1 (0.41) NPC1GAAMAPTRAB9ASMN1; 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 57 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
WO-2007131716-A2 COSMETIC AGENT COMPRISING SPECIFIC SUGAR ESTERS HENKEL AG & CO. KGAA (DE) 2007-11-22 WO disclosed
EP-1844762-A2 Cosmetic medium with at least 2 silicones Henkel Kommanditgesellschaft auf Aktien (DE) 2007-10-17 EP disclosed
WO-2007101492-A1 COSMETIC AGENTS COMPRISING PURINE AND/OR PURINE DERIVATIVES I HENKEL AG & CO. KGAA (DE) 2007-09-13 WO disclosed
WO-2007101494-A1 COSMETIC AGENTS CONTAINING PURINE AND/OR PURINE DERIVATIVES III HENKEL AG & CO. KGAA (DE) 2007-09-13 WO disclosed
WO-2007101493-A1 COSMETIC AGENTS COMPRISING PURINE AND/OR PURINE DERATIVES II HENKEL AG & CO. KGAA (DE) 2007-09-13 WO disclosed
EP-1825884-A2 Brightening and/or colouring agent with reduced potential for irritation Henkel Kommanditgesellschaft auf Aktien (DE) 2007-08-29 EP disclosed
EP-1813260-A2 Bleaching and/or colouring agent with reduced potential for irritation Henkel Kommanditgesellschaft auf Aktien (DE) 2007-08-01 EP disclosed
US-20040107506-A1 Polysiloxane-containing polymers for wrinkleproofing cellulosic textiles BASF AKTIENGESELLSCHAFT (DE) 2004-06-10 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 NPC1 4835/4885GAA 4430/4885MAPT 2085/4885
US-20140271520-A1 NON-WEIGHING HAIR PREPARATIONS KRT18, KRTCAP2, PSMB10 NPC1 4307/4885GAA 3512/4885MAPT 2653/4885

“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.