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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 4/20 | 0.65 |
| ▸ | LOX | P28300 | 3/20 | 0.65 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 2/20 | 0.37 |
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
| ▸ | CCND1 | P24385 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 3/20 | 0.35 |
| ▸ | GSK3A | P49840 | 2/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29975842 | 0.98 | LOXL2 (0.67) | LOXL2LOXFFAR1CDK2CDK4 | |
| SCHEMBL17342 | 0.98 | LOXL2 (0.67) | LOXL2LOXFFAR1CDK2CDK4 | |
| SCHEMBL14486857 | 0.83 | LOXL2 (0.62) | LOXL2LOXFFAR1CDK2CDK4 | |
| SCHEMBL31583016 | 0.83 | LOXL2 (0.62) | LOXL2LOXFFAR1CDK2CDK4 | |
| SCHEMBL31256818 | 0.81 | LOXL2 (0.46) | LOXL2LOXCYP4F2CYP4A11ACACB | |
| SCHEMBL2940184 | 0.81 | LOXL2 (0.46) | LOXL2LOXCYP4F2CYP4A11ACACB | |
| SCHEMBL15504978 | 0.80 | LOXL2 (0.46) | LOXL2LOXCYP4F2CYP4A11ACACB | |
| SCHEMBL805488 | 0.80 | LOXL2 (0.69) | LOXL2LOXFFAR1CCR1CCR5 | |
| SCHEMBL10375014 | 0.79 | LOXL2 (0.62) | LOXL2LOXFFAR1 | |
| SCHEMBL449200 | 0.78 | LOXL2 (1.00) | LOXL2LOX |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2709624-B1 | N-METHYL TETRAHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME (US) | 2016-04-27 | — | — | EP | disclosed |
| US-9284312-B2 | N-methyl tetrahydroquinoline M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2016-03-15 | — | — | US | disclosed |
| US-20150141444-A1 | N-METHYL TETRAHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. | 2015-05-21 | — | — | US | disclosed |
| EP-2709624-A1 | N-METHYL TETRAHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | Merck Sharp & Dohme Corp. (US) | 2014-03-26 | — | — | EP | disclosed |
| WO-2012158473-A1 | N-METHYL TETRAHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2012-11-22 | — | — | 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-20150141444-A1 | N-METHYL TETRAHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | CHRM1, OPRL1, OPRM1 | LOXL2 4852/4885LOX 4805/4885FFAR1 139/4885 |
“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.