Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA known ✓ | P35790 | 9/20 | 0.60 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | HTT | P42858 | 2/20 | 0.60 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1250828 | 0.95 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2KDM4EMEN1MAPT | |
| Bromide SCHEMBL18321385 | 0.89 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2KDM4EMEN1MAPT | |
| Bromide SCHEMBL8890844 | 0.86 | CHKA (0.64) | ALDH1A1SMN1; SMN2KDM4EMEN1MAPT | |
| Bromide SCHEMBL11693463 | 0.84 | CHKA (0.63) | ALDH1A1SMN1; SMN2KDM4EMEN1MAPT | |
| Benzyl Viologen SCHEMBL4079047 | 0.84 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2KDM4ECHKALMNA | |
| SCHEMBL10326023 | 0.84 | CHKA (0.61) | ALDH1A1SMN1; SMN2KDM4EMEN1MAPT | |
| Bromide SCHEMBL365151 | 0.83 | CHKA (0.61) | ALDH1A1SMN1; SMN2KDM4ECHKALMNA | |
| Bromide SCHEMBL28611338 | 0.83 | CHKA (0.61) | ALDH1A1SMN1; SMN2KDM4ECHKALMNA | |
| SCHEMBL13283227 | 0.83 | CHKA (0.61) | ALDH1A1SMN1; SMN2KDM4EMEN1MAPT | |
| Bromide SCHEMBL6263418 | 0.83 | CHKA (0.71) | ALDH1A1SMN1; SMN2KDM4EMEN1MAPT |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116803980-A | Preparation method of tetrahydropyridine derivative and hexahydropyridine derivative | 中国科学院化学研究所 | 2023-09-26 | — | — | CN | disclosed |
| EP-1565453-A4 | 2- (4-BENZYL)-1-PIPERIDINYL)METHYL|BENZIMIDAZOLE-5-OL DERIVATIVES AS NR2B RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2007-10-10 | — | — | EP | disclosed |
| US-20060160853-A1 | 2-[(4-Benzyl)-1-piperidinyl)methyl]benzimidazole-5-ol derivatives as nr2b receptor antagonists | MERCK & CO., INC. | 2006-07-20 | — | — | US | disclosed |
| EP-1565453-A1 | 2- (4-BENZYL)-1-PIPERIDINYL)METHYL]BENZIMIDAZOLE-5-OL DERIVATIVES AS NR2B RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2005-08-24 | — | — | EP | disclosed |
| WO-2004048364-A1 | 2-[(4-BENZYL)-1-PIPERIDINYL)METHYL]BENZIMIDAZOLE-5-OL DERIVATIVES AS NR2B RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2004-06-10 | — | — | WO | disclosed |
| US-5807857-A | Piperazine, piperidine and tetrahydropyridine derivative of indol-3-alkyl as 5-HT1D-α agonists | MERCK SHARP & DOHME LTD. (GB) | 1998-09-15 | — | — | US | disclosed |
| EP-0759918-A1 | PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1997-03-05 | — | — | EP | disclosed |
| WO-1995032196-A1 | PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1995-11-30 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060160853-A1 | 2-[(4-Benzyl)-1-piperidinyl)methyl]benzimidazole-5-ol derivatives as nr2b receptor antagonists | GRIN2B, GRIN1, GRIN2A | CHKA 2016/4885ACHE 1969/4885ALDH1A1 1848/4885 |
“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.