Bromide

Bromide

SCHEMBL1617121

Br.O=C1C(Br)CN(Cc2ccccc2)CC1c1ccc(Cl)c(F)c1

nearest known ligand 0.41

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
SLC6A2 known ✓ P23975 3/20 0.41
SLC6A4 known ✓ P31645 3/20 0.41
SLC6A3 known ✓ Q01959 1/20 0.41
CHRM2 known ✓ P08172 1/20 0.37
CHRM3 known ✓ P20309 1/20 0.37
SIGMAR1 known ✓ Q99720 2/20 0.36
GRIN2A known ✓ Q12879 1/20 0.35
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
DRD4 P21917 1/20 0.38
CXCR3 P49682 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
GRIN2B Q13224 2/20 0.36
RORC P51449 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
DRD2 P14416 1/20 0.35
GRIN1 Q05586 1/20 0.35

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 SCHEMBL3663120 0.92 TACR1 (0.42) SLC6A2SLC6A4SLC6A3ESR1ESR2
SCHEMBL1617419 0.79 TACR1 (0.50) SLC6A2SLC6A4SLC6A3ESR1ESR2
Bromide SCHEMBL1616827 0.78 DPP4 (0.43) ESR1ESR2SIGMAR1DRD2FUCA1
SCHEMBL1986052 0.72 DPP4 (0.58) SLC6A2SLC6A4SLC6A3DRD4SIGMAR1
SCHEMBL1937592 0.72 DPP4 (0.58) SLC6A2SLC6A4SLC6A3DRD4SIGMAR1
SCHEMBL1993817 0.72 RORC (0.52) GRIN2BRORCHRH3
SCHEMBL16780160 0.72 RORC (0.52) GRIN2BRORCHRH3
SCHEMBL3337004 0.72 RORC (0.52) GRIN2BRORCHRH3
SCHEMBL6904062 0.72 DRD4 (0.41) SLC6A2SLC6A4SLC6A3DRD4CXCR3
SCHEMBL1893641 0.72 RORC (0.52) GRIN2BRORCHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012030952-A3 REDUCING RIPPLE CURRENT IN A SWITCHED-MODE POWER CONVERTER EMPLOYING A BRIDGE TOPOLOGY TEXAS INSTRUMENTS INCORPORATED (US) 2012-05-10 WO disclosed
EP-2231629-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-11-30 EP disclosed
US-7923450-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
US-20090181965-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 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-20090181965-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, BACE1 SLC6A2 544/4885SLC6A4 1066/4885SLC6A3 1273/4885

“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.