Bromide

Bromide

SCHEMBL1193573

Br.Br.CCNC1CCc2nc(N)sc2C1

nearest known ligand 0.77

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
ADRA2A known ✓ P08913 2/20 0.77
ADRB2 known ✓ P07550 1/20 0.77
HTR1A known ✓ P08908 1/20 0.77
ADRA2B known ✓ P18089 1/20 0.77
ADRA2C known ✓ P18825 1/20 0.77
HTR1B known ✓ P28222 1/20 0.77
ADRA1A known ✓ P35348 1/20 0.77
SIGMAR1 known ✓ Q99720 1/20 0.77
DRD3 P35462 5/20 0.77
DRD2 P14416 5/20 0.77
HRH2 P25021 2/20 0.77
DRD4 P21917 2/20 0.77
HTR2A P28223 1/20 0.77
HTR7 P34969 1/20 0.77
HRH1 P35367 1/20 0.77
HTR2B P41595 1/20 0.77
HRH4 Q9H3N8 1/20 0.77
SCN3A Q9NY46 5/20 0.60
SCN4A P35499 4/20 0.60
SCN9A Q15858 4/20 0.60

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
SCHEMBL7859028 0.98 DRD3 (0.79) DRD3DRD2HRH2ADRA2ADRD4
SCHEMBL8244275 0.98 DRD3 (0.79) DRD3DRD2HRH2ADRA2ADRD4
Hydrochloric Acid SCHEMBL7313270 0.97 ADRA2A (0.80) DRD3DRD2HRH2ADRA2ADRD4
Pramipexole SCHEMBL3947668 0.89 DRD3 (0.97) DRD3DRD2HRH2ADRA2ADRD4
Pramipexole SCHEMBL4144177 0.89 DRD3 (0.97) DRD3DRD2HRH2ADRA2ADRD4
Pramipexole SCHEMBL1234941 0.89 DRD3 (0.97) DRD3DRD2HRH2ADRA2ADRD4
Pramipexole SCHEMBL1193565 0.89 DRD3 (0.97) DRD3DRD2HRH2ADRA2ADRD4
Pramipexole SCHEMBL35376 0.87 DRD3 (1.00) DRD3DRD2HRH2ADRA2ADRD4
Dexpramipexole SCHEMBL74780 0.87 DRD3 (1.00) DRD3DRD2HRH2ADRA2ADRD4
Pramipexole SCHEMBL195775 0.87 DRD3 (1.00) DRD3DRD2HRH2ADRA2ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220060-B1 TETRAHYDROBENZOTHIAZOLE DERIVATIVES MOTAC NEUROSCIENCE LTD (GB) 2016-09-14 EP disclosed
US-8389555-B2 Medicaments MOTAC NEUROSCIENCE LIMITED (GB) 2013-03-05 US disclosed
US-20110046153-A1 Medicaments MOTAC NEUROSCIENCE LIMITED (GB) 2011-02-24 US disclosed
EP-2220060-A1 MEDICAMENTS Motac Neuroscience Limited (GB) 2010-08-25 EP disclosed
WO-2009056811-A2 MEDICAMENTS MOTAC NEUROSCIENCE LIMITED (GB) 2009-05-07 WO disclosed
WO-2009056805-A1 MEDICAMENTS MOTAC NEUROSCIENCE LIMITED (GB) 2009-05-07 WO 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-20110046153-A1 Medicaments MTNR1A, SIGMAR1, OPRK1 ADRA2A 18/4885ADRB2 11/4885HTR1A 23/4885

“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.