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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 20/20 | 0.77 |
| ▸ | RAMP1 | O60894 | 2/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL4484905 | 1.00 | CALCRL (0.77) | CALCRLRAMP1CYP3A4 | |
| Bromide SCHEMBL4484914 | 1.00 | CALCRL (0.77) | CALCRLRAMP1CYP3A4 | |
| Bromide SCHEMBL4487568 | 1.00 | CALCRL (0.77) | CALCRLRAMP1CYP3A4 | |
| SCHEMBL3310554 | 0.99 | CALCRL (0.78) | CALCRLRAMP1CYP3A4 | |
| SCHEMBL4492582 | 0.99 | CALCRL (0.78) | CALCRLRAMP1CYP3A4 | |
| Hydrochloric Acid SCHEMBL4487041 | 0.99 | CALCRL (0.77) | CALCRLRAMP1CYP3A4 | |
| Hydrochloric Acid SCHEMBL4487036 | 0.99 | CALCRL (0.77) | CALCRLRAMP1CYP3A4 | |
| SCHEMBL13331694 | 0.97 | CALCRL (0.75) | CALCRLRAMP1CYP3A4 | |
| SCHEMBL2910439 | 0.97 | CALCRL (0.74) | CALCRLRAMP1CYP3A4 | |
| SCHEMBL2910442 | 0.97 | CALCRL (0.74) | CALCRLRAMP1CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080086003-A1 | 1-[4-amino-3,5-dibromo-N-[[4-(2,3,4,5-tetrahydro-2(1H)-oxo-1,3-benzodiazepin-3-yl)-1-piperidinyl]carbonyl]-D-phenylalanyl]-4-(1-piperidinyl)-piperidine-p-toluenesulphonate or other inorganic organic salts; calcitonin gene related peptide-antagonist; useful for treating headache and migraine | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-04-10 | — | — | US | claimed |
| US-7638625-B2 | Crystalline compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-12-29 | — | — | US | disclosed |
| US-20080086003-A1 | 1-[4-amino-3,5-dibromo-N-[[4-(2,3,4,5-tetrahydro-2(1H)-oxo-1,3-benzodiazepin-3-yl)-1-piperidinyl]carbonyl]-D-phenylalanyl]-4-(1-piperidinyl)-piperidine-p-toluenesulphonate or other inorganic organic salts; calcitonin gene related peptide-antagonist; useful for treating headache and migraine | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-04-10 | — | — | US | 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-20080086003-A1 | 1-[4-amino-3,5-dibromo-N-[[4-(2,3,4,5-tetrahydro-2(1H)-oxo-1,3-benzodiazepin-3-yl)-1-piperidinyl]carbonyl]-D-phenylalanyl]-4-(1-piperidinyl)-piperidine-p-toluenesulphonate or other inorganic organic salts; calcitonin gene related peptide-antagonist; useful for treating headache and migraine | SUCNR1, TRPC1, TRPV1 | CALCRL 10/4885RAMP1 629/4885CYP3A4 2589/4885 |
“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.