Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.36 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL16619528 | 1.00 | CYP2C9 (0.38) | CYP2C9KMT2AMEN1CYP2D6CYP2C19 | |
| SCHEMBL16619531 | 1.00 | CYP2C9 (0.38) | CYP2C9KMT2AMEN1CYP2D6CYP2C19 | |
| SCHEMBL21278202 | 0.87 | BRD4 (0.36) | CYP2C9KMT2AMEN1CYP2D6CYP2C19 | |
| SCHEMBL907525 | 0.86 | LMNA (0.41) | KMT2AMEN1CYP2D6LMNACYP3A4 | |
| SCHEMBL907522 | 0.86 | LMNA (0.41) | KMT2AMEN1CYP2D6LMNACYP3A4 | |
| SCHEMBL16619746 | 0.73 | POLB (0.31) | CYP2C9KMT2AMEN1CYP2D6CYP2C19 | |
| SCHEMBL21278201 | 0.73 | POLB (0.31) | CYP2C9KMT2AMEN1CYP2D6CYP2C19 | |
| SCHEMBL16619749 | 0.73 | POLB (0.31) | CYP2C9KMT2AMEN1CYP2D6CYP2C19 | |
| SCHEMBL16619751 | 0.73 | POLB (0.31) | CYP2C9KMT2AMEN1CYP2D6CYP2C19 | |
| SCHEMBL18017404 | 0.73 | — | — |
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 | CYP2C9 1804/4885KMT2A 4197/4885MEN1 4791/4885 |
“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.