Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STAT3 | P40763 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL435554 | 0.77 | MAPT (0.40) | MAPTHDAC4HDAC6NPSR1NPC1 | |
| SCHEMBL433554 | 0.76 | MEN1 (0.39) | LMNACYP1A2MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4446274 | 0.72 | SIGMAR1 (0.58) | LMNAMAPTCYP1A2ACHENPC1 | |
| SCHEMBL30537979 | 0.72 | SIGMAR1 (0.58) | LMNAMAPTCYP1A2ACHENPC1 | |
| SCHEMBL5116386 | 0.71 | LMNA (0.40) | LMNAMAPTALDH1A1 | |
| SCHEMBL3428040 | 0.71 | SIGMAR1 (0.54) | LMNAMAPTCYP1A2SIGMAR1GAA | |
| SCHEMBL29016910 | 0.69 | LMNA (0.41) | LMNAMAPTNPSR1MITFMEN1 | |
| SCHEMBL30740425 | 0.69 | KMT2A (0.43) | STAT3MAPTBCHEACHENPC1 | |
| SCHEMBL7697012 | 0.67 | PDE4A (0.42) | LMNAMAPTNPSR1NPC1MEN1 | |
| SCHEMBL3294386 | 0.66 | TSHR (0.46) | LMNAMAPTCYP1A2NPSR1ACHE |
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 10 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 |
| 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-9186354-B2 | Pyrrolidine derived β3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2015-11-17 | — | — | US | 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-20140315912-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME LLC | 2014-10-23 | — | — | US | disclosed |
| US-20140315912-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME LLC | 2014-10-23 | — | — | US | disclosed |
| EP-2595483-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | Merck Sharp & Dohme Corp. (US) | 2013-05-29 | — | — | EP | disclosed |
| WO-2012012314-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-01-26 | — | — | 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-20140315912-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | STAT3 2008/4885LMNA 1808/4885MAPT 2559/4885 |
“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.