Bromide

Bromide

SCHEMBL7209915

Br.Cc1cc(NCCN2CCN(c3ncccn3)CC2)nc2ccccc12

nearest known ligand 0.52

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
HTR1A known ✓ P08908 1/20 0.44
ACHE known ✓ P22303 1/20 0.44
ADRA1A known ✓ P35348 1/20 0.44
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLC2A1 P11166 4/20 0.47
ABCC1 P33527 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
CHRM1 P11229 1/20 0.44
BLM P54132 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
Bromide SCHEMBL7207307 0.94 DRD2 (0.50) KDM4EALDH1A1HPGDSMN1; SMN2SLC2A1
Bromide SCHEMBL7210682 0.93 DRD2 (0.54) KDM4EALDH1A1HPGDSMN1; SMN2SLC2A1
SCHEMBL7207251 0.93 KDM4E (0.51) KDM4EALDH1A1HPGDSMN1; SMN2SLC2A1
Bromide SCHEMBL7206216 0.90 SIGMAR1 (0.45) KDM4EALDH1A1HPGDSMN1; SMN2SLC2A1
Bromide SCHEMBL7209939 0.83 KDM4E (0.51) KDM4ESLC2A1HTR1ADRD2ADRA1A
SCHEMBL8691758 0.83 CHRM1 (0.63) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
Bromide SCHEMBL7212285 0.81 HTR1A (0.62) KDM4EHPGDSMN1; SMN2HTR1AACHE
SCHEMBL7212266 0.79 HTR1A (0.64) KDM4EHPGDSMN1; SMN2HTR1AACHE
SCHEMBL8691834 0.78 HRH3 (0.58) KDM4EALDH1A1HPGDSMN1; SMN2SLC2A1
SCHEMBL8692776 0.77 SLC2A1 (0.56) KDM4EALDH1A1HPGDSMN1; SMN2SLC2A1

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 44/4885ACHE 2365/4885ADRA1A 21/4885

“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.