Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 2/20 | 0.54 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.37 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.36 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.36 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.36 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.36 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.36 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.36 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.36 |
| ▸ | GRIK4 | Q16099 | 1/20 | 0.36 |
| ▸ | GRIK5 | Q16478 | 1/20 | 0.36 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.32 |
| ▸ | PEPD | P12955 | 1/20 | 0.31 |
| ▸ | XPNPEP1 | Q9NQW7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9933856 | 1.00 | KDM5A (0.54) | KDM5AGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL18628305 | 1.00 | KDM5A (0.54) | KDM5AGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL3025197 | 0.83 | GRIK1 (0.43) | KDM5AGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL9963069 | 0.78 | KDM5A (0.50) | KDM5A | |
| SCHEMBL9932441 | 0.69 | ADRB3 (0.44) | KDM5A | |
| SCHEMBL9932445 | 0.69 | ADRB3 (0.44) | KDM5A | |
| SCHEMBL21063724 | 0.67 | GRIN2D (0.49) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL23149395 | 0.66 | MAP3K12 (0.34) | KDM5A | |
| SCHEMBL9933803 | 0.66 | — | — | |
| SCHEMBL9933802 | 0.66 | — | — |
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-2595483-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2017-03-22 | — | — | EP | disclosed |
| US-9186354-B2 | Pyrrolidine derived β3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2015-11-17 | — | — | US | disclosed |
| US-20140315912-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME LLC | 2014-10-23 | — | — | US | disclosed |
| US-8354403-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-01-15 | — | — | US | disclosed |
| US-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME, CORP. (US) | 2012-06-21 | — | — | 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 (2 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-20140315912-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | KDM5A 3059/4885GRIN2D 1432/4885GRIN3B 541/4885 |
| US-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | KDM5A 2967/4885GRIN2D 1483/4885GRIN3B 600/4885 |
“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.