Bromide

Bromide

SCHEMBL7205481

Br.c1cnc(N2CCN(CCCCNc3ccc4ccccc4n3)CC2)nc1

nearest known ligand 0.64

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 11)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 14/20 0.64
ADRA1A known ✓ P35348 5/20 0.64
DRD3 P35462 8/20 0.64
DRD2 P14416 6/20 0.64
KCNH2 Q12809 1/20 0.64
HRH4 Q9H3N8 1/20 0.64
HTR2A P28223 3/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
DRD4 P21917 1/20 0.51
HTR7 P34969 1/20 0.51

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
SCHEMBL7210679 0.99 HTR1A (0.66) HTR1ADRD3DRD2ADRA1AKCNH2
Bromide SCHEMBL7210662 0.97 HTR1A (0.64) HTR1ADRD3DRD2ADRA1AKCNH2
Bromide SCHEMBL7212285 0.92 HTR1A (0.62) HTR1ADRD3DRD2ADRA1AKCNH2
SCHEMBL7212266 0.91 HTR1A (0.64) HTR1ADRD3DRD2ADRA1AKCNH2
Bromide SCHEMBL7210639 0.85 SLC6A4 (0.65) HTR1ADRD3DRD2ADRA1AKCNH2
Bromide SCHEMBL7207014 0.82 DRD2 (0.67) HTR1ADRD3DRD2ADRA1AKCNH2
Bromide SCHEMBL7210682 0.82 DRD2 (0.54) HTR1ADRD3DRD2ADRA1AHTR2A
Bromide SCHEMBL7210192 0.81 HTR1A (0.58) HTR1ADRD3DRD2ADRA1AKCNH2
SCHEMBL491679 0.81 HTR1A (0.64) HTR1ADRD3DRD2ADRA1AKCNH2
SCHEMBL5193713 0.78 DRD2 (1.00) HTR1ADRD3DRD2ADRA1AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020143019-A1 2-aminoalkylaminoquinolines as dopamine D4 ligands NEUROGEN CORPORATION 2002-10-03 US claimed
EP-0991642-A1 2-AMINOALKYLAMINOQUINOLINES AS DOPAMINE D4 LIGANDS NEUROGEN CORPORATION (US) 2000-04-12 EP claimed
WO-1998056786-A1 2-AMINOALKYLAMINOQUINOLINES AS DOPAMINE D4 LIGANDS NEUROGEN CORPORATION (US) 1998-12-17 WO claimed
US-6613901-B2 For therapy and prophylaxis of neuropsychochological disorders such as schizophrenia and other central nervous system diseases NEUROGEN CORPORATION 2003-09-02 US disclosed
US-20020143019-A1 2-aminoalkylaminoquinolines as dopamine D4 ligands NEUROGEN CORPORATION 2002-10-03 US disclosed
US-6313141-B1 FOR THERAPY OF SCHIZOPHRENIA, PSYCHOTIC DEPRESSION, MANIA, PARKINSON'S DISEASE AND TARDIVE DISKINESIA NEUROGEN CORPORATION 2001-11-06 US disclosed
EP-0991642-A1 2-AMINOALKYLAMINOQUINOLINES AS DOPAMINE D4 LIGANDS NEUROGEN CORPORATION (US) 2000-04-12 EP disclosed
US-5972945-A FOR TREATING PSYCHOTIC DISORDERS SUCH AS SCHIZOPHRENIA AND OTHER CENTRAL NERVOUS SYSTEM DISEASES NEUROGEN CORPORATION (US) 1999-10-26 US disclosed
WO-1998056786-A1 2-AMINOALKYLAMINOQUINOLINES AS DOPAMINE D4 LIGANDS NEUROGEN CORPORATION (US) 1998-12-17 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-20020143019-A1 2-aminoalkylaminoquinolines as dopamine D4 ligands SLC6A3, DRD4, ADRA2C HTR1A 44/4885ADRA1A 21/4885DRD3 7/4885

“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.