Bromide

Bromide

SCHEMBL244458

C[N+]1(C)CCCCC(C=C(c2ccccc2)c2ccccn2)CC1C1CCCCCCC1.[Br-]

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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
CHRM3 known ✓ P20309 1/20 0.40
CHRM1 known ✓ P11229 1/20 0.33
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
ADRA2B P18089 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
GMNN O75496 1/20 0.33
BLM P54132 1/20 0.33

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
Bromide SCHEMBL142044 0.74 CHRM3 (0.73) CHRM3KMT2ALMNAMEN1CHRM1
Bromide SCHEMBL142045 0.74 CHRM3 (0.73) CHRM3KMT2ALMNAMEN1CHRM1
Bromide SCHEMBL3911327 0.67 CHRM3 (0.50) CHRM3KMT2ALMNAMEN1CHRM1
SCHEMBL28221450 0.64 CHRM3 (0.53) CHRM3CYP1A2LMNAALDH1A1NPSR1
SCHEMBL22660166 0.63 KMT2A (0.55) KMT2ALMNAMEN1CHRM1ADRA2B
SCHEMBL5256541 0.63 GAA (0.53) CYP1A2GAAKMT2ALMNAMEN1
SCHEMBL31088350 0.60 CYP1A2 (0.56) CYP1A2GAAKMT2ALMNAMEN1
Bromide SCHEMBL4166137 0.60 CHRM3 (0.88) CHRM3CHRM1CYP2D6BLM
Bromide SCHEMBL4166138 0.60 CHRM3 (0.88) CHRM3CHRM1CYP2D6BLM
SCHEMBL6421671 0.59 KMT2A (0.50) GAAKMT2ALMNAMEN1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004281-A1 RNA Interference Mediated Inhibition of the Nerve Growth Factor Beta Chain (NGFB) Gene Expression Using Short Interfering Nucleic Acid (siNA) MERCK SHARP & DOHME CORP (US) 2012-01-05 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-20120004281-A1 RNA Interference Mediated Inhibition of the Nerve Growth Factor Beta Chain (NGFB) Gene Expression Using Short Interfering Nucleic Acid (siNA) NGF, NGFR, BDNF CHRM3 4755/4885CHRM1 4866/4885CYP1A2 4826/4885

“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.