Bromide

Bromide

SCHEMBL2995963

Br.CC(C)C(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Bromide. 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
CHRM2 known ✓ P08172 2/20 0.39
CHRM3 known ✓ P20309 1/20 0.38
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
CYP1A2 P05177 2/20 0.67
HRH1 P35367 1/20 0.67
CYP2C19 P33261 2/20 0.63
RECQL P46063 1/20 0.63
SLC25A20 O43772 3/20 0.54
TSHR P16473 3/20 0.54
TP53 P04637 2/20 0.54
CYP2D6 P10635 2/20 0.54
SLC6A5 Q9Y345 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
NFKB1 P19838 1/20 0.54
THPO P40225 1/20 0.54
HIF1A Q16665 1/20 0.54

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
SCHEMBL677165 0.98 MEN1 (0.69) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL234697 0.98 MEN1 (0.69) MEN1KMT2ACYP1A2HRH1CYP2C19
Hydrochloric Acid SCHEMBL8752465 0.97 MEN1 (0.67) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL2565442 0.88 MEN1 (0.69) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL17416718 0.86 MEN1 (0.67) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL3445036 0.86 MEN1 (0.67) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL3445035 0.86 MEN1 (0.67) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL10899938 0.85 MEN1 (0.65) MEN1KMT2ACYP1A2HRH1CYP2C19
Phytic Acid SCHEMBL1360053 0.84 MEN1 (0.52) MEN1KMT2ACYP1A2HRH1CYP2C19
SCHEMBL1644173 0.83 MEN1 (0.68) MEN1KMT2ACYP1A2HRH1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183228-B1 ESTERS OF L-CARNITINE OR ALKANOYL L-CARNITINES USEFUL AS CATIONIC LIPIDS FOR THE INTRACELLULAR DELIVERY OF PHARMACOLOGICALLY ACTIVE COMPOUNDS. SIGMA TAU IND FARMACEUTI (IT) 2005-01-12 EP claimed
US-6797281-B1 Esters of I-carnitine or alkanoyl I-carnitines SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-09-28 US claimed
US-20040186175-A1 Esters of L-carnitine or alkanoyl L-carnitines useful as cationic lipids for the intracellular delivery of pharmacologically active compounds SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-09-23 US claimed
JP-2002541238-A 2002-12-03 JP claimed
EP-1183228-A2 ESTERS OF L-CARNITINE OR ALKANOYL L-CARNITINES Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2002-03-06 EP claimed
WO-2000061543-A2 ESTERS OF L-CARNITINE OR ALKANOYL L-CARNITINES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2000-10-19 WO claimed
WO-2017205550-A1 IMMUNOGENIC COCHLEATES AND METHODS OF USE MATINAS BIOPHARMA NANOTECHNOLOGIES, INC. (US) 2017-11-30 WO disclosed
US-8598138-B2 Amphiphilic nucleotide cochleate compositions and methods of using the same UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2013-12-03 US disclosed
US-20120232260-A1 AMPHIPHILIC NUCLEOTIDE COCHLEATE COMPOSITIONS AND METHODS OF USING THE SAME BIODELIVERY SCIENCES INTERNATIONAL, INC. (US) 2012-09-13 US disclosed
US-20100178325-A1 AMPHIPHILIC NUCLEOTIDE COCHLEATE COMPOSITIONS AND METHODS OF USING THE SAME BIODELIVERY SCIENCES INTERNATIONAL, INC. (US) 2010-07-15 US disclosed
US-7629003-B2 Esters of L-carnitine of alkanoyl L-carnitines useful as cationic lipids for the intracellular delivery of pharmacologically active compounds SIGMA-TAU FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-12-08 US disclosed
US-7585519-B2 Esters of L-carnitine or alkanoyl L-carnitines useful as cationic lipids for the intracellular delivery of pharmacologically active compounds SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-09-08 US disclosed
WO-2008024389-A2 AMPHIPHILIC NUCLEOTIDE COCHLEATE COMPOSITIONS AND METHODS OF USING THE SAME BIODELIVERY SCIENCES INTERNATIONAL, INC. (US) 2008-02-28 WO disclosed
EP-0514357-B1 Use of esters of acyl L-carnitines with gamma-hydroxybutyric acid for producing pharmaceutical compositions for the treatment of hepatopathies SIGMA TAU IND FARMACEUTI (IT) 1996-01-10 EP disclosed
US-5418253-A Esters of L-carnitine and alkanoyl L-carnitines with glycolic acid or esters thereof and pharmaceutical compositions containing same for treating dermatoses AVANTGARDE S.P.A. (IT) 1995-05-23 US disclosed
EP-0442850-B1 Esters of acyl L-carnitines with gamma-hydroxybutyric acid and pharmaceutical compositions containing them for inhibiting neuronal degeneration and for the treatment of coma SIGMA TAU IND FARMACEUTI (IT) 1994-07-27 EP disclosed
EP-0596838-A2 Esters of L-carnitine and alkanoyl L-carnitines with glycolic acid or esters thereof and pharmaceutical compositions containing same for treating dermatoses AVANTGARDE S.p.A. (IT) 1994-05-11 EP disclosed
US-5246967-A USE OF ESTERS OF ACYL L-CARNITINES WITH GAMMA-HYDROXYBUTYRIC ACID FOR PRODUCING PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATOPATHIES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1993-09-21 US disclosed
EP-0514357-A1 Use of esters of acyl L-carnitines with gamma-hydroxybutyric acid for producing pharmaceutical compositions for the treatment of hepatopathies Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-11-19 EP disclosed
EP-0442850-A1 Esters of acyl L-carnitines with gamma-hydroxybutyric acid and pharmaceutical compositions containing them for inhibiting neuronal degeneration and for the treatment of coma Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1991-08-21 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-20100178325-A1 AMPHIPHILIC NUCLEOTIDE COCHLEATE COMPOSITIONS AND METHODS OF USING THE SAME PHOSPHO1, NUDT1, SAMHD1 CHRM2 3564/4885CHRM3 2376/4885MEN1 465/4885
US-20040186175-A1 Esters of L-carnitine or alkanoyl L-carnitines useful as cationic lipids for the intracellular delivery of pharmacologically active compounds CPT1B, SLC25A20, CRAT CHRM2 2295/4885CHRM3 2200/4885MEN1 2145/4885

“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.