Bromide

Bromide

SCHEMBL7204012

Br.CN(C)C1CCc2c(ccc(O)c2O)C1

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 7)

geneUniProtsupporting neighboursconfidence
CHRM3 known ✓ P20309 1/20 0.53
HTR1A known ✓ P08908 5/20 0.49
DRD2 P14416 5/20 0.65
DRD1 P21728 2/20 0.65
DRD4 P21917 2/20 0.54
DRD3 P35462 2/20 0.54
HTR7 P34969 5/20 0.49

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
SCHEMBL6286848 0.98 DRD2 (0.67) DRD2DRD1DRD4DRD3CHRM3
SCHEMBL7788774 0.79 DRD2 (1.00) DRD2DRD1DRD4DRD3HTR1A
SCHEMBL7362530 0.79 DRD2 (1.00) DRD2DRD1DRD4DRD3HTR1A
SCHEMBL3313069 0.79 CHRM3 (0.77) DRD2DRD1DRD4DRD3CHRM3
SCHEMBL3312525 0.79 CHRM3 (0.77) DRD2DRD1DRD4DRD3CHRM3
SCHEMBL339581 0.79 CHRM3 (0.77) DRD2DRD1DRD4DRD3CHRM3
SCHEMBL10881893 0.78 DRD2 (0.48) DRD2DRD1DRD4DRD3CHRM3
SCHEMBL14283972 0.78 CHRM3 (0.65) DRD2DRD1DRD4DRD3CHRM3
Bromide SCHEMBL6008428 0.77 DRD2 (0.50) DRD2DRD1DRD4DRD3
Hydrochloric Acid SCHEMBL10879409 0.77 DRD2 (0.47) DRD2DRD1DRD4DRD3CHRM3

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 CHRM3 999/4885HTR1A 34/4885DRD2 14/4885
US-20030050226-A1 Dopamine analog amide FABP7, SLC6A3, ALOX15 CHRM3 999/4885HTR1A 34/4885DRD2 14/4885

“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.