Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FNTA | P49354 | 1/20 | 0.51 |
| ▸ | FNTB | P49356 | 1/20 | 0.51 |
| ▸ | CXCR4 | P61073 | 17/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 6/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 6/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9965950 | 1.00 | FNTA (0.51) | FNTAFNTBCXCR4CYP2D6CHRM2 | |
| SCHEMBL9932907 | 1.00 | FNTA (0.51) | FNTAFNTBCXCR4CYP2D6CHRM2 | |
| SCHEMBL9934555 | 0.91 | FNTA (0.53) | FNTAFNTBCXCR4CYP2D6CHRM2 | |
| SCHEMBL9933651 | 0.91 | FNTA (0.53) | FNTAFNTBCXCR4CYP2D6CHRM2 | |
| SCHEMBL9673260 | 0.88 | CXCR4 (0.46) | CXCR4CYP2D6EGLN1 | |
| SCHEMBL9672362 | 0.87 | CXCR4 (0.46) | CXCR4CYP2D6EGLN1 | |
| SCHEMBL9742041 | 0.84 | CHRNA7 (0.44) | FNTAFNTBCXCR4EGLN1 | |
| SCHEMBL8955169 | 0.80 | CHRNA7 (0.42) | FNTAFNTBCXCR4KCNH2EGLN1 | |
| SCHEMBL9934506 | 0.79 | FNTA (0.44) | FNTAFNTBCXCR4EGLN1 | |
| SCHEMBL22275726 | 0.78 | CXCR4 (0.42) | CXCR4CYP2D6CHRM2CHRM4CHRM5 |
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 | FNTA 2939/4885FNTB 1658/4885CXCR4 793/4885 |
“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.