Bromide

Bromide

SCHEMBL1944504

Br.Br.Nc1ccc2c(c1)CCNCC2

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 0.42
ADRA2B known ✓ P18089 2/20 0.42
ADRA2C known ✓ P18825 2/20 0.42
HTR2C P28335 6/20 0.55
HTR2B P41595 5/20 0.55
HTR2A P28223 1/20 0.55
ADCY6 O43306 1/20 0.46
ADCY3 O60266 1/20 0.46
ADCY9 O60503 1/20 0.46
ADCY5 O95622 1/20 0.46
ADCY8 P40145 1/20 0.46
ADCY7 P51828 1/20 0.46
ADCY2 Q08462 1/20 0.46
ADCY1 Q08828 1/20 0.46
ADCY4 Q8NFM4 1/20 0.46
DRD2 P14416 2/20 0.46
DRD1 P21728 2/20 0.46
PNMT P11086 3/20 0.42
ASIC3 Q9UHC3 1/20 0.42
DRD4 P21917 1/20 0.41

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
SCHEMBL1947625 0.98 HTR2C (0.57) HTR2CHTR2BHTR2AADCY6ADCY3
Hydrochloric Acid SCHEMBL8178179 0.96 HTR2C (0.55) HTR2CHTR2BHTR2AADCY6ADCY3
SCHEMBL329985 0.85 ASIC3 (0.60) DRD2PNMTADRA2AADRA2BADRA2C
SCHEMBL29657674 0.85 ASIC3 (0.60) DRD2PNMTADRA2AADRA2BADRA2C
SCHEMBL29521679 0.85 PNMT (0.60) DRD2PNMTADRA2AADRA2BADRA2C
SCHEMBL330080 0.85 PNMT (0.60) DRD2PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL4517857 0.83 PNMT (0.58) DRD2PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL3285222 0.83 PNMT (0.58) DRD2PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL1948668 0.83 ASIC3 (0.58) DRD2PNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL4514463 0.83 ASIC3 (0.58) DRD2PNMTADRA2AADRA2BADRA2C

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
US-20110130383-A1 Use of Ion Channel Modulators in the Prophylaxis and Treatment of Inflammatory and Immunological Diseases LECTUS THERAPEUTICS LIMITED (GB) 2011-06-02 US disclosed
US-20090318423-A1 Ion Channel Modulators & Uses Thereof LECTUS THERAPEUTICS LIMITED (GB) 2009-12-24 US disclosed
EP-2069309-A1 ION CHANNEL MODULATORS&USES THEREOF Lectus Therapeutics Limited (GB) 2009-06-17 EP disclosed
EP-2066317-A2 USE OF ION CHANNEL MODULATORS IN THE PROPHYLAXIS AND TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISEASES Lectus Therapeutics Limited (GB) 2009-06-10 EP disclosed
WO-2008038051-A2 USE OF ION CHANNEL MODULATORS IN THE PROPHYLAXIS AND TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISEASES LECTUS THERAPEUTICS LIMITED (GB) 2008-04-03 WO disclosed
WO-2008038053-A1 ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2008-04-03 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 (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-20090318423-A1 Ion Channel Modulators & Uses Thereof KCNH3, KCNN3, KCNH2 ADRA2A 220/4885ADRA2B 211/4885ADRA2C 165/4885
US-20110130383-A1 Use of Ion Channel Modulators in the Prophylaxis and Treatment of Inflammatory and Immunological Diseases HCAR2, HCAR1, SCN7A ADRA2A 502/4885ADRA2B 390/4885ADRA2C 295/4885

“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.