Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 17/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ACACB | O00763 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16619687 | 1.00 | ADRB3 (0.48) | ADRB3ADRB2ADRB1SLC6A4KCNH2 | |
| SCHEMBL12079980 | 0.92 | ADRB3 (0.52) | ADRB3ADRB2SLC6A4KCNH2CYP3A4 | |
| SCHEMBL12079982 | 0.92 | ADRB3 (0.52) | ADRB3ADRB2SLC6A4KCNH2CYP3A4 | |
| SCHEMBL16619200 | 0.92 | ADRB3 (0.49) | ADRB3ADRB2ADRB1SLC6A4KCNH2 | |
| SCHEMBL16619202 | 0.92 | ADRB3 (0.49) | ADRB3ADRB2ADRB1SLC6A4KCNH2 | |
| SCHEMBL16619183 | 0.92 | ADRB3 (0.48) | ADRB3ADRB2SLC6A4KCNH2CYP3A4 | |
| SCHEMBL16619182 | 0.92 | ADRB3 (0.48) | ADRB3ADRB2SLC6A4KCNH2CYP3A4 | |
| SCHEMBL16619645 | 0.91 | ADRB3 (0.57) | ADRB3ADRB2ADRB1SLC6A4KCNH2 | |
| SCHEMBL16619647 | 0.91 | ADRB3 (0.57) | ADRB3ADRB2ADRB1SLC6A4KCNH2 | |
| SCHEMBL16619842 | 0.91 | ADRB3 (0.48) | ADRB3ADRB2ADRB1SLC6A4KCNH2 |
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-3052099-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2019-08-21 | — | — | EP | disclosed |
| US-9486448-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2016-11-08 | — | — | US | disclosed |
| US-20160235727-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-08-18 | — | — | US | disclosed |
| EP-3052099-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | Merck Sharp & Dohme Corp. (US) | 2016-08-10 | — | — | EP | disclosed |
| WO-2015050798-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-04-09 | — | — | 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-20160235727-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | ADRB3 1/4885ADRB2 3/4885ADRB1 2/4885 |
“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.