Bromide

Bromide

SCHEMBL7198686

Br.CCCN(CCC)C1CCc2cc(O)c(O)cc2C1

nearest known ligand 0.97

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 16)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 1/20 0.69
ADRB2 known ✓ P07550 1/20 0.69
FYN P06241 2/20 0.97
DRD2 P14416 7/20 0.72
DRD3 P35462 6/20 0.72
LMNA P02545 3/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
MAPT P10636 1/20 0.72
DRD4 P21917 2/20 0.69
CYP2D6 P10635 1/20 0.69
CASP1 P29466 1/20 0.69
BLM P54132 1/20 0.62
ALDH1A1 P00352 1/20 0.62
PMP22 Q01453 1/20 0.62
DRD1 P21728 1/20 0.61

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
SCHEMBL10606282 0.98 FYN (1.00) FYNDRD2DRD3LMNAMEN1
Bromide SCHEMBL10893272 0.90 FYN (0.79) FYNDRD2DRD3LMNAMEN1
Bromide SCHEMBL10897774 0.90 FYN (0.79) FYNDRD2DRD3LMNAMEN1
Bromide SCHEMBL8689149 0.89 FYN (0.96) FYNDRD2DRD3LMNAMEN1
SCHEMBL8443814 0.87 FYN (1.00) FYNDRD2DRD3LMNAMEN1
SCHEMBL8486515 0.84 FYN (0.74) FYNDRD2DRD3LMNAMEN1
SCHEMBL10881589 0.84 FYN (0.73) FYNDRD2DRD3LMNAMEN1
Bromide SCHEMBL4204027 0.84 DRD2 (1.00) FYNDRD2DRD3LMNAMEN1
Bromide SCHEMBL10896356 0.84 FYN (0.68) FYNDRD2DRD3LMNAMEN1
SCHEMBL623950 0.82 DRD2 (1.00) FYNDRD2DRD3LMNAMEN1

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-20030050226-A1 Dopamine analog amide SHASHOUA VICTOR E (US) 2003-03-13 US disclosed
US-6407137-B2 A PRODRUG COMPOUND CAPABLE OF FACILITATING THE PASSAGE OF A DRUG ACROSS THE BLOOD BRAIN BARRIER COMPRISING A FATTY ACID COUPLED TO A DRUG TO FORM A PRODRUG PROTARGA, INC. 2002-06-18 US disclosed
US-20010056116-A1 Dopamine analog amide LUITPOLD PHARMACEUTICALS, INC. 2001-12-27 US disclosed
US-6258836-B1 FATTY ACID COUPLED TO ANTIAIDS SUBSTANCE, ANTIBIOTIC, CHOLINERGIC AGONIST AND OTHER USES FOR PASSING THE BLOOD BRAIN BARRIER PROTARGA, INC. 2001-07-10 US disclosed
US-6107499-A FACILITATING THE TRANSPORT OF A NEUROTRANSMITTER ACROSS THE BLOOD BRAIN BARRIER BY ADMINISTERING THE DRUG, A NEUROTRANSMITTER SUCH AS DOPAMINE COVALENTLY COUPLED TO A SINGLE, STRAIGHT-CHAINED FATTY ACID CARRIER MOLECULE NEUROMEDICA, INC. (US) 2000-08-22 US disclosed
US-5994392-A PASSAGE OF DRUG THROUGH BLOOD BRAIN BARRIER NEUROMEDICA, INC. (US) 1999-11-30 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 (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-20010056116-A1 Dopamine analog amide FABP7, SLC6A3, ALOX15 HTR1A 34/4885ADRB2 720/4885FYN 2187/4885
US-20030050226-A1 Dopamine analog amide FABP7, SLC6A3, ALOX15 HTR1A 34/4885ADRB2 720/4885FYN 2187/4885

“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.