Bromide

Bromide

SCHEMBL1880822

Br.CCCCN1C=CN(c2ccc(Br)cc2)C1

nearest known ligand 0.37

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
DRD3 P35462 1/20 0.37
CNR1 P21554 3/20 0.35
GPR183 P32249 1/20 0.34
THRB P10828 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
CYP2D6 P10635 3/20 0.31
CYP2C19 P33261 3/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 3/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 2/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 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
SCHEMBL1881167 0.98 DRD3 (0.38) DRD3CNR1GPR183THRBHRH3
Iodide SCHEMBL1886065 0.97 DRD3 (0.37) DRD3CNR1GPR183THRBHRH3
Bromide SCHEMBL1885973 0.94 CNR1 (0.37) DRD3CNR1CYP2D6CYP2C19CYP1A2
Bromide SCHEMBL1879461 0.94 CNR1 (0.37) DRD3CNR1CYP2D6CYP2C19CYP1A2
Bromide SCHEMBL1880715 0.94 CNR1 (0.37) DRD3CNR1CYP2D6CYP2C19CYP1A2
SCHEMBL15993129 0.92 CNR1 (0.38) DRD3CNR1CYP2D6CYP2C19CYP1A2
SCHEMBL14675117 0.92 CNR1 (0.38) DRD3CNR1CYP2D6CYP2C19CYP1A2
Iodide SCHEMBL1883854 0.91 CNR1 (0.37) DRD3CNR1CYP2D6CYP2C19CYP1A2
Iodide SCHEMBL15992432 0.91 CNR1 (0.37) DRD3CNR1CYP2D6CYP2C19CYP1A2
Bromide SCHEMBL1889477 0.90 HRH3 (0.33) DRD3HRH3MEN1HSP90AA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260397-B2 Salts comprising aryl-alkyl-substituted imidazolium and triazolium cations and the use thereof TECHNISCHE UNIVERSITAET DRESDEN (DE) 2016-02-16 US disclosed
US-20110105761-A1 Salts Comprising Aryl-Alkyl-Substituted Imidazolium and Triazolium Cations and the Use Thereof TECHNISCHE UNIVERSITAET DRESDEN (DE) 2011-05-05 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 (1 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-20110105761-A1 Salts Comprising Aryl-Alkyl-Substituted Imidazolium and Triazolium Cations and the Use Thereof RDX, HAX1, CHRM2 DRD3 324/4885CNR1 125/4885GPR183 337/4885

“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.