Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 6/20 | 0.52 |
| ▸ | HTR6 | P50406 | 5/20 | 0.51 |
| ▸ | HTR1A | P08908 | 3/20 | 0.47 |
| ▸ | HTR2A | P28223 | 3/20 | 0.47 |
| ▸ | HTR7 | P34969 | 3/20 | 0.47 |
| ▸ | DRD2 | P14416 | 3/20 | 0.47 |
| ▸ | DRD3 | P35462 | 3/20 | 0.47 |
| ▸ | HTR5A | P47898 | 2/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.47 |
| ▸ | HTR3B | O95264 | 2/20 | 0.47 |
| ▸ | HTR3A | P46098 | 2/20 | 0.47 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.47 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | NCF1 | P14598 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | HTR1D | P28221 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9234686 | 0.85 | MAPT (0.46) | ALDH1A1MAPT | |
| SCHEMBL28807259 | 0.83 | MAPT (0.49) | ALDH1A1MAPT | |
| SCHEMBL4032846 | 0.80 | MAPT (0.47) | HSD17B10LMNAKDM4EALDH1A1HPGD | |
| SCHEMBL15834279 | 0.75 | ADRB1 (0.75) | ADRB1HTR6HTR1AHTR2AHTR7 | |
| SCHEMBL20817956 | 0.75 | ADRB1 (0.53) | ADRB1HTR6HTR1AHTR2AHTR7 | |
| SCHEMBL20025114 | 0.74 | SLC6A2 (0.38) | ADRB1HTR6DRD2CYP2D6TSHR | |
| SCHEMBL8457378 | 0.73 | ADRB1 (0.60) | ADRB1HTR6HTR1AHTR2AHTR7 | |
| SCHEMBL4491073 | 0.72 | ADRB1 (0.48) | ADRB1HTR6HTR1AHTR2AHTR7 | |
| SCHEMBL1809115 | 0.71 | ADRB1 (0.62) | ADRB1HTR6HTR1AHTR2AHTR7 | |
| SCHEMBL5540086 | 0.71 | ADRB1 (0.62) | ADRB1HTR6HTR1AHTR2AHTR7 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2470021-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2014-10-22 | — | — | EP | disclosed |
| EP-2470021-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2014-10-22 | — | — | EP | disclosed |
| US-8354403-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-01-15 | — | — | US | disclosed |
| US-8354403-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-01-15 | — | — | 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 |
| US-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME, CORP. (US) | 2012-06-21 | — | — | US | disclosed |
| US-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME, CORP. (US) | 2012-06-21 | — | — | US | disclosed |
| WO-2011025690-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-03-03 | — | — | 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-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | ADRB1 2/4885HTR6 748/4885HTR1A 374/4885 |
“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.