Bromide

Bromide

SCHEMBL2995962

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

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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 0.40
▸ CHRM4 known ✓ P08173 2/20 0.40
▸ CHRM1 known ✓ P11229 2/20 0.40
▸ CHRM5 known ✓ P08912 1/20 0.39
▸ CHRM3 known ✓ P20309 1/20 0.39
▸ LMNA P02545 5/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ CYP1A2 P05177 4/20 0.54
▸ MAPK1 P28482 4/20 0.53
▸ MAPT P10636 4/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ GMNN O75496 3/20 0.53
▸ NPSR1 Q6W5P4 3/20 0.53
▸ TSHR P16473 3/20 0.53
▸ HSP90AA1 P07900 2/20 0.53
▸ BLM P54132 2/20 0.53
▸ NR1H4 Q96RI1 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ TP53 P04637 1/20 0.53

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
SCHEMBL12152164 0.98 LMNA (0.66) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL25099265 0.98 LMNA (0.66) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL12137159 0.98 LMNA (0.66) LMNASMN1; SMN2CYP1A2MAPK1MAPT
Hydrochloric Acid SCHEMBL8752462 0.96 LMNA (0.69) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL27777262 0.88 LMNA (0.62) LMNASMN1; SMN2CYP1A2MAPK1MAPT
Butyryl-Carnitine SCHEMBL25274079 0.86 CYP1A2 (0.68) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL20530359 0.86 LMNA (0.64) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL20530318 0.86 LMNA (0.64) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL27768779 0.84 LMNA (0.66) LMNASMN1; SMN2CYP1A2MAPK1MAPT
SCHEMBL27925466 0.84 LMNA (0.66) LMNASMN1; SMN2CYP1A2MAPK1MAPT

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 3564/4885CHRM4 2200/4885CHRM1 3524/4885
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 2295/4885CHRM4 2806/4885CHRM1 1795/4885

“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.

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