Bromide

Bromide

SCHEMBL2347783

Br.CCCC(C)C1CNCCO1

nearest known ligand 0.37

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 12/20 0.37
SLC6A4 known ✓ P31645 11/20 0.37
SLC6A3 known ✓ Q01959 8/20 0.37
ADRB2 known ✓ P07550 2/20 0.37
CHRM2 known ✓ P08172 1/20 0.37
CHRM3 known ✓ P20309 1/20 0.37
HTR1A known ✓ P08908 1/20 0.31
ADRA1A known ✓ P35348 1/20 0.31
MLNR O43193 1/20 0.37
CHRM1 P11229 1/20 0.37
HTR2C P28335 1/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL3305446 0.98 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3ADRB2MLNR
Bromide SCHEMBL11125370 0.90 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3ADRB2MLNR
Bromide SCHEMBL11125786 0.90 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3ADRB2MLNR
Pyrrole SCHEMBL23500114 0.89 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3ADRB2MLNR
SCHEMBL5712863 0.88 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3ADRB2MLNR
SCHEMBL6712356 0.88 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3ADRB2MLNR
SCHEMBL6833197 0.88 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3ADRB2MLNR
SCHEMBL9858373 0.88 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3ADRB2MLNR
Hydrochloric Acid SCHEMBL8366765 0.87 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3ADRB2MLNR
Hydrochloric Acid SCHEMBL21817059 0.87 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3ADRB2MLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698631-B1 IONIC LIQUID, METHOD FOR PRODUCING SAME, DOUBLE LAYER CAPACITOR COMPRISING SAME, AND LITHIUM BATTERY NAT INST OF ADVANCED IND SCIEN (JP) 2011-08-10 EP disclosed
US-20070099079-A1 Ionic liquid, method for producing same, double layer capacitor comprising same, and lithium battery NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2007-05-03 US disclosed
EP-1698631-A1 IONIC LIQUID, METHOD FOR PRODUCING SAME, DOUBLE LAYER CAPACITOR COMPRISING SAME, AND LITHIUM BATTERY National Institute of Advanced Industrial Science and Technology (JP) 2006-09-06 EP 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-20070099079-A1 Ionic liquid, method for producing same, double layer capacitor comprising same, and lithium battery CLCN2, CACNA1F, CACNB3 SLC6A2 1120/4885SLC6A4 1984/4885SLC6A3 888/4885

“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.