Bromide

Bromide

SCHEMBL1402201

Br.O.O=C(O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1

nearest known ligand 0.74

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 0.74
CHRM2 known ✓ P08172 2/20 0.74
P2RY12 known ✓ Q9H244 2/20 0.74
SLC6A4 known ✓ P31645 1/20 0.74
ADRB3 known ✓ P13945 1/20 0.45
ADRA2B known ✓ P18089 1/20 0.45
ADRA2C known ✓ P18825 1/20 0.45
ADRA1A known ✓ P35348 1/20 0.45
SIGMAR1 known ✓ Q99720 1/20 0.45
ABCB11 O95342 4/20 0.74
OPRM1 P35372 3/20 0.74
CYP2C19 P33261 3/20 0.74
CYP2B6 P20813 2/20 0.74
DRD1 P21728 2/20 0.74
OPRK1 P41145 2/20 0.74
HTR2B P41595 2/20 0.74
KCNH2 Q12809 2/20 0.74
THRB P10828 1/20 0.74
NR1I2 O75469 1/20 0.74
HTR2A P28223 1/20 0.74

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
Water SCHEMBL1989477 0.99 ABCB11 (0.76) ABCB11OPRM1CYP2C19ADRA2ACYP2B6
Water SCHEMBL3377943 0.99 ABCB11 (0.76) ABCB11OPRM1CYP2C19ADRA2ACYP2B6
Bromide SCHEMBL1130039 0.99 ABCB11 (0.76) ABCB11OPRM1CYP2C19ADRA2ACYP2B6
Bromide SCHEMBL2486392 0.99 ABCB11 (0.76) ABCB11OPRM1CYP2C19ADRA2ACYP2B6
Bromide SCHEMBL2489468 0.99 ABCB11 (0.76) ABCB11OPRM1CYP2C19ADRA2ACYP2B6
Hydrochloric Acid SCHEMBL7479212 0.98 ABCB11 (0.74) ABCB11OPRM1CYP2C19ADRA2ACYP2B6
SCHEMBL4770 0.98 ABCB11 (0.77) ABCB11OPRM1CYP2C19ADRA2ACYP2B6
SCHEMBL364610 0.98 ABCB11 (0.77) ABCB11OPRM1CYP2C19ADRA2ACYP2B6
SCHEMBL19148650 0.98 ABCB11 (0.77) ABCB11OPRM1CYP2C19ADRA2ACYP2B6
SCHEMBL30277249 0.98 ABCB11 (0.77) ABCB11OPRM1CYP2C19ADRA2ACYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1704152-A2 CRYSTALLINE CLOPIDOGREL HYDROBROMIDE AND PROCESSES FOR PREPARATION THEREOF Teva Pharmaceutical Industries Ltd (IL) 2006-09-27 EP claimed
US-20060154957-A1 Crystalline clopidogrel hydrobromide and processes for preparation thereof TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-07-13 US claimed
WO-2006034451-A2 CRYSTALLINE CLOPIDOGREL HYDROBROMIDE AND PROCESSES FOR PREPARATION THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-03-30 WO claimed
EP-2291177-A2 STABLE PHARMACEUTICAL COMPOSITIONS AND THEIR PROCESSES FOR PREPARATION SUITABLE FOR INDUSTRIAL SCALE Farmaprojects, S.A. (ES) 2011-03-09 EP disclosed
WO-2009135646-A2 STABLE PHARMACEUTICAL COMPOSITIONS AND THEIR PROCESSES FOR PREPARATION SUITABLE FOR INDUSTRIAL SCALE FARMAPROJECTS, SA (ES) 2009-11-12 WO disclosed
US-20090187022-A1 Crystalline clopidogrel hydrobromide and processes for preparation thereof TEVA PHARMACEUTICALS USA, INC. FOR BARBADOS. 2009-07-23 US disclosed
US-20080306268-A1 Crystalline clopidogrel hydrobromide and processes for preparation thereof TEVA PHARMACEUTICALS USA, INC. FOR BARBADOS 2008-12-11 US disclosed
US-20080300409-A1 Crystalline clopidogrel hydrobromide and processes for preparation thereof TEVA PHARMACEUTICALS USA, INC. FOR BARBADOS 2008-12-04 US disclosed
EP-1704152-A2 CRYSTALLINE CLOPIDOGREL HYDROBROMIDE AND PROCESSES FOR PREPARATION THEREOF Teva Pharmaceutical Industries Ltd (IL) 2006-09-27 EP disclosed
US-20060154957-A1 Crystalline clopidogrel hydrobromide and processes for preparation thereof TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-07-13 US disclosed
WO-2006034451-A2 CRYSTALLINE CLOPIDOGREL HYDROBROMIDE AND PROCESSES FOR PREPARATION THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-03-30 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 (4 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-20060154957-A1 Crystalline clopidogrel hydrobromide and processes for preparation thereof NUDT1, CYP2C9, PFKP ADRA2A 187/4885CHRM2 443/4885P2RY12 9/4885
US-20090187022-A1 Crystalline clopidogrel hydrobromide and processes for preparation thereof NUDT1, CYP2C9, PFKP ADRA2A 187/4885CHRM2 443/4885P2RY12 9/4885
US-20080306268-A1 Crystalline clopidogrel hydrobromide and processes for preparation thereof NUDT1, CYP2C9, PFKP ADRA2A 187/4885CHRM2 443/4885P2RY12 9/4885
US-20080300409-A1 Crystalline clopidogrel hydrobromide and processes for preparation thereof NUDT1, CYP2C9, PFKP ADRA2A 187/4885CHRM2 443/4885P2RY12 9/4885

“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.