Bromide

Bromide

SCHEMBL1030770

Br.CCOC(=O)C1CCc2nc(N)sc2C1

nearest known ligand 0.70

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 0.48
ADRB2 known ✓ P07550 1/20 0.48
HTR1A known ✓ P08908 1/20 0.48
ADRA2B known ✓ P18089 1/20 0.48
ADRA2C known ✓ P18825 1/20 0.48
HTR1B known ✓ P28222 1/20 0.48
ADRA1A known ✓ P35348 1/20 0.48
SIGMAR1 known ✓ Q99720 1/20 0.48
PDK1 Q15118 2/20 0.70
LIMK1 P53667 1/20 0.52
DRD3 P35462 7/20 0.48
DRD2 P14416 6/20 0.48
HRH2 P25021 3/20 0.48
DRD4 P21917 2/20 0.48
HRH1 P35367 2/20 0.48
HRH4 Q9H3N8 2/20 0.48
HTR2A P28223 1/20 0.48
HTR7 P34969 1/20 0.48
HTR2B P41595 1/20 0.48
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL1030772 0.99 PDK1 (0.71) PDK1LIMK1DRD3DRD2HRH2
SCHEMBL1700743 0.85 PDK1 (0.74) PDK1LIMK1LMNAGAAMAPT
SCHEMBL9874973 0.85 PDK1 (0.52) PDK1DRD3DRD2HRH2ADRA2A
SCHEMBL17385025 0.84 PDK1 (0.73) PDK1LIMK1LMNAPOLBGAA
SCHEMBL22677886 0.83 PDK1 (0.71) PDK1LIMK1LMNAGAAMAPT
SCHEMBL12680627 0.81 PDK1 (0.68) PDK1LIMK1POLBGAAMAPT
SCHEMBL406838 0.81 PDK1 (0.68) PDK1LIMK1LMNAGAAMAPT
SCHEMBL3537067 0.81 PDK1 (0.64) PDK1LIMK1DRD3DRD2HRH2
Bromide SCHEMBL3055052 0.81 PDK1 (0.64) PDK1LIMK1LMNAPOLBMAPT
Bromide SCHEMBL1031876 0.80 PDK1 (0.60) PDK1LIMK1LMNAPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120253047-A1 PROCESS FOR THE PREPARATION OF (R)-PRAMIPEXOLE DIPHARMA S.P.A. (IT) 2012-10-04 US disclosed
US-8203002-B2 Intermediates for the preparation of pramipexole DIPHARMA S.P.A. (IT) 2012-06-19 US disclosed
EP-2289885-A1 Intermediates for the preparation of pramipexole Dipharma Francis S.r.l. (IT) 2011-03-02 EP disclosed
EP-1730129-B1 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE DIPHARMA FRANCIS SRL (IT) 2011-01-19 EP disclosed
US-20100222595-A1 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE DIPHARMA S.P.A. (IT) 2010-09-02 US disclosed
US-7741490-B2 Intermediates for the preparation of pramipexole DIPHARMA S.P.A. (IT) 2010-06-22 US disclosed
US-20070191439-A1 Intermediates for the preparation of pramipexole DIPHARMA S.P.A. (IT) 2007-08-16 US disclosed
EP-1730129-A2 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE Dipharma S.p.A. (IT) 2006-12-13 EP disclosed
WO-2005092871-A2 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE DIPHARMA S.P.A. (IT) 2005-10-06 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 (3 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-20100222595-A1 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE CYP11B2, CYP11B1, CYP4A11 ADRA2A 217/4885ADRB2 175/4885HTR1A 256/4885
US-20120253047-A1 PROCESS FOR THE PREPARATION OF (R)-PRAMIPEXOLE DPP4, DNPEP, PNMT ADRA2A 82/4885ADRB2 49/4885HTR1A 104/4885
US-20070191439-A1 Intermediates for the preparation of pramipexole CYP11B2, CYP11B1, CYP4A11 ADRA2A 217/4885ADRB2 175/4885HTR1A 256/4885

“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.