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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.61 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.70 |
| ▸ | USP2 | O75604 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | THRB | P10828 | 1/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 3/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | DRD4 | P21917 | 1/20 | 0.62 |
| ▸ | HTR7 | P34969 | 1/20 | 0.60 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6030721 | 0.98 | KDM4E (0.72) | KDM4EALDH1A1SMN1; SMN2USP2LMNA | |
| SCHEMBL9374413 | 0.89 | SIGMAR1 (0.76) | USP2LMNATHRBKCNH2MAPT | |
| SCHEMBL18177901 | 0.88 | MAPT (0.68) | KDM4EALDH1A1SMN1; SMN2USP2LMNA | |
| SCHEMBL6031227 | 0.88 | USP2 (0.64) | KDM4EALDH1A1SMN1; SMN2USP2LMNA | |
| SCHEMBL18177888 | 0.88 | DRD2 (0.65) | KDM4EALDH1A1SMN1; SMN2USP2LMNA | |
| SCHEMBL6031187 | 0.85 | ALDH1A1 (0.77) | KDM4EALDH1A1SMN1; SMN2USP2LMNA | |
| SCHEMBL27371885 | 0.85 | USP2 (0.61) | KDM4EUSP2LMNATHRBKCNH2 | |
| SCHEMBL11821778 | 0.84 | KMT2A (0.64) | KDM4EALDH1A1SMN1; SMN2USP2LMNA | |
| SCHEMBL4649494 | 0.83 | DRD4 (0.87) | KDM4EALDH1A1SMN1; SMN2MAPTDRD4 | |
| SCHEMBL6031705 | 0.82 | KDM4E (1.00) | KDM4EALDH1A1SMN1; SMN2USP2LMNA |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0960106-B1 | 1-PHENYL-4-BENZYLPIPERAZINES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS (D4) | NEUROGEN CORP (US) | 2004-05-06 | — | — | EP | disclosed |
| US-20040083447-A1 | 1-Phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands | NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE | 2004-04-29 | — | — | US | disclosed |
| US-6656943-B2 | In the treatment or prevention of psychotic disorders such as schizophrenia psychotic depression, mania and other central nervous system diseases | NEUROGEN CORPORATION | 2003-12-02 | — | — | US | disclosed |
| US-20030119851-A1 | 1-phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands | NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE | 2003-06-26 | — | — | US | disclosed |
| US-6426347-B2 | FOR PREVENTION OF PSYCHOTIC DISORDERS SUCH AS SCHIZOPHRENIA AND OTHER CENTRAL NERVOUS SYSTEM DISEASES | NEUROGEN CORPORATION | 2002-07-30 | — | — | US | disclosed |
| US-20020007064-A1 | 1-Phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands | THURKAUF ANDREW (US) | 2002-01-17 | — | — | US | disclosed |
| US-6172229-B1 | PSYCHOLOGICAL DISORDERS | NEUROGEN CORPORATION | 2001-01-09 | — | — | US | disclosed |
| EP-0960106-A1 | 1-PHENYL-4-BENZYLPIPERAZINES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS (D4) | NEUROGEN CORPORATION (US) | 1999-12-01 | — | — | EP | disclosed |
| US-5859246-A | TREATING NEUROPSYCHOLOGICAL DISORDERS | NEUROGEN CORPORATION (US) | 1999-01-12 | — | — | US | disclosed |
| WO-1998033784-A1 | 1-PHENYL-4-BENZYLPIPERAZINES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS (D4) | NEUROGEN CORPORATION (US) | 1998-08-06 | — | — | 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 (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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020007064-A1 | 1-Phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands | HTR2C, GRIN2C, HTR1A | SIGMAR1 91/4885HTR1A 3/4885KDM4E 3113/4885 |
| US-20030119851-A1 | 1-phenyl-4-benzylpiperazines dopamine receptor subtype specific ligands | HTR2C, GRIN2C, HTR1A | SIGMAR1 91/4885HTR1A 3/4885KDM4E 3113/4885 |
“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.