Bromide

Bromide

SCHEMBL4074544

Br.CC(C)c1ccccc1C[Zn]

nearest known ligand 0.46

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 0.42
SLC6A4 known ✓ P31645 2/20 0.36
SLC6A3 known ✓ Q01959 2/20 0.36
GABRA1 P14867 3/20 0.46
GABRB2 P47870 2/20 0.46
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
TSHR P16473 2/20 0.42
FAAH O00519 2/20 0.42
LMNA P02545 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
GABRB1 P18505 1/20 0.42
PTGS1 P23219 1/20 0.42
HTR2C P28335 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42

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
SCHEMBL9839884 0.82 GABRA1 (0.48) GABRA1GABRB2GABRG2GABRB3SLC6A2
SCHEMBL28261836 0.82 GABRA1 (0.48) GABRA1GABRB2GABRG2GABRB3SLC6A2
SCHEMBL545484 0.80 GABRA1 (0.46) GABRA1GABRB2GABRG2GABRB3SLC6A2
SCHEMBL5350214 0.80 GABRA1 (0.46) GABRA1GABRB2GABRG2GABRB3SLC6A2
SCHEMBL29657207 0.80 GABRA1 (0.46) GABRA1GABRB2GABRG2GABRB3SLC6A2
SCHEMBL2219283 0.80 GABRA1 (0.46) GABRA1GABRB2GABRG2GABRB3SLC6A2
SCHEMBL29426990 0.80 GABRA1 (0.46) GABRA1GABRB2GABRG2GABRB3SLC6A2
SCHEMBL6681972 0.78 GABRA1 (0.52) GABRA1GABRB2GABRG2GABRB3SLC6A2
SCHEMBL394900 0.78 GABRA1 (0.44) GABRA1GABRB2GABRG2GABRB3SLC6A2
SCHEMBL395017 0.78 GABRA1 (0.44) GABRA1GABRB2GABRG2GABRB3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595315-B2 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
EP-1716126-B1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2009-02-25 EP disclosed
US-20070060585-A1 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY 2007-03-15 US disclosed
EP-1716126-A1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-02 EP disclosed
WO-2005066144-A1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-07-21 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 (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-20070060585-A1 Morpholine derivatives as norepinephrine reuptake inhibitors SLC6A2, SLC18A2, SLC6A3 SLC6A2 1/4885SLC6A4 4/4885SLC6A3 3/4885

“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.