Bromide

Bromide

SCHEMBL4149889

CCC[N+]1(C)CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1.[Br-]

nearest known ligand 0.57

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
MAPT P10636 4/20 0.57
NPSR1 Q6W5P4 3/20 0.57
POLB P06746 1/20 0.57
PKM P14618 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
PDGFRB P09619 1/20 0.43
EPHX2 P34913 1/20 0.42
S1PR2 O95136 1/20 0.41
GOT1 P17174 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
CNR2 P34972 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39

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
Iodide SCHEMBL4157647 0.97 MAPT (0.57) MAPTNPSR1POLBPKMMEN1
Bromide SCHEMBL4152044 0.95 NPSR1 (0.59) MAPTNPSR1POLBPKMMEN1
Bromide SCHEMBL4171632 0.90 MAPT (0.57) MAPTNPSR1POLBPKMMEN1
SCHEMBL5239194 0.88 MAPT (0.58) MAPTNPSR1POLBPKMMEN1
Iodide SCHEMBL4156720 0.87 MAPT (0.57) MAPTNPSR1POLBPKMMEN1
Hydrochloric Acid SCHEMBL4162672 0.87 MAPT (0.57) MAPTNPSR1POLBPKMMEN1
Iodide SCHEMBL4164756 0.87 MAPT (0.60) MAPTNPSR1POLBPKMMEN1
Bromide SCHEMBL4167080 0.85 NPSR1 (0.59) MAPTNPSR1POLBPKMMEN1
Hydrochloric Acid SCHEMBL4154088 0.83 NPSR1 (0.59) MAPTNPSR1POLBPKMMEN1
Iodide SCHEMBL4155323 0.83 NPSR1 (0.59) MAPTNPSR1POLBPKMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118303-A1 SEROTONIN 5-HT3 RECEPTOR AGONIST RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-05-07 US disclosed
US-7485646-B2 Serotonin 5-HT3 receptor agonist RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-02-03 US disclosed
US-20070265277-A1 Serotonin 5-Ht3 Receptor Agonist RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2007-11-15 US disclosed
EP-1798227-A1 SEROTONIN 5-HT3 RECEPTOR AGONIST Research Foundation Itsuu Laboratory (JP) 2007-06-20 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-20090118303-A1 SEROTONIN 5-HT3 RECEPTOR AGONIST HTR3A, HTR7, HTR1A MAPT 4268/4885NPSR1 24/4885POLB 4738/4885
US-20070265277-A1 Serotonin 5-Ht3 Receptor Agonist HTR3A, HTR7, HTR1A MAPT 4268/4885NPSR1 24/4885POLB 4738/4885

“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.