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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.40 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 6/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1448996 | 0.99 | HTR1A (0.41) | HTR1AADRA1BDRD2DRD4HTR2C | |
| Hydrochloric Acid SCHEMBL1449007 | 0.97 | HTR1A (0.40) | HTR1AADRA1BDRD2DRD4HTR2C | |
| Hydrochloric Acid SCHEMBL1448989 | 0.97 | HTR1A (0.40) | HTR1AADRA1BDRD2DRD4HTR2C | |
| Hydrochloric Acid SCHEMBL4858269 | 0.93 | HTR1A (0.41) | HTR1AADRA1BDRD2HTR2C | |
| SCHEMBL6022386 | 0.93 | OPRL1 (0.43) | HTR1AADRA1B | |
| Sulfuric Acid SCHEMBL1448555 | 0.92 | PARP1 (0.41) | HTR1AADRA1BDRD2HTR2CGRM2 | |
| Hydrochloric Acid SCHEMBL4858550 | 0.92 | OPRL1 (0.42) | HTR1AADRA1B | |
| SCHEMBL1449825 | 0.91 | PARP1 (0.45) | HTR1AADRA1BDRD2 | |
| SCHEMBL1449300 | 0.90 | PARP1 (0.40) | HTR1AADRA1BDRD2HTR2CGRM2 | |
| Hydrochloric Acid SCHEMBL4857040 | 0.90 | HTR1A (0.37) | HTR1AADRA1BDRD2HTR2CDRD3 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7910734-B2 | Cell adhesion inhibitory action and cell infiltration inhibitory action; inflammatory, autoimmune diseases associated with adhesion and infiltration of leukocytes, inflammatory bowel disease, ulcerative colitis, Crohn's disease, irritable bowel syndrome, rheumatoid arthritis, psoriasis, multiple sclerosi | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-03-22 | — | — | US | claimed |
| US-20080161566-A1 | Crystal and Salt of 1-Cyclopropylmethyl-4-[2-(3,3,5,5-Tetramethylcyclohexyl)Phenyl]Piperazine | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2008-07-03 | — | — | US | claimed |
| EP-1832580-A1 | CRYSTAL AND SALT OF 1-CYCLOPROPYLMETHYL-4-Ý2-(3,3,5,5)-TETRAMETHYLCYCLOHEXYL)PHENYL¨PIPERAZINE | Eisai R&D Management Co., Ltd. (JP) | 2007-09-12 | — | — | EP | claimed |
| US-7910734-B2 | Cell adhesion inhibitory action and cell infiltration inhibitory action; inflammatory, autoimmune diseases associated with adhesion and infiltration of leukocytes, inflammatory bowel disease, ulcerative colitis, Crohn's disease, irritable bowel syndrome, rheumatoid arthritis, psoriasis, multiple sclerosi | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-03-22 | — | — | US | disclosed |
| US-20080161566-A1 | Crystal and Salt of 1-Cyclopropylmethyl-4-[2-(3,3,5,5-Tetramethylcyclohexyl)Phenyl]Piperazine | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2008-07-03 | — | — | US | disclosed |
| EP-1832580-A1 | CRYSTAL AND SALT OF 1-CYCLOPROPYLMETHYL-4-Ý2-(3,3,5,5)-TETRAMETHYLCYCLOHEXYL)PHENYL¨PIPERAZINE | Eisai R&D Management Co., Ltd. (JP) | 2007-09-12 | — | — | EP | 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-20080161566-A1 | Crystal and Salt of 1-Cyclopropylmethyl-4-[2-(3,3,5,5-Tetramethylcyclohexyl)Phenyl]Piperazine | ICAM1, IL5, VCAM1 | HTR1A 1778/4885ADRA1B 2780/4885DRD2 2001/4885 |
“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.