Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | OGA | O60502 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12890751 | 0.95 | CHRM2 (0.43) | HDAC6HDAC1CHRM2HDAC8HDAC5 | |
| SCHEMBL15931995 | 0.79 | GPR119 (0.42) | PARP1CCR5 | |
| SCHEMBL16945611 | 0.74 | CHRNB2 (0.51) | CHRM2 | |
| SCHEMBL12890048 | 0.74 | CHRNB2 (0.51) | CHRM2 | |
| SCHEMBL13793382 | 0.74 | HDAC6 (0.42) | HDAC6HDAC1CHRM2HDAC8HDAC5 | |
| SCHEMBL12332020 | 0.72 | HDAC6 (0.41) | HDAC6HDAC1CHRM2HDAC8HDAC5 | |
| SCHEMBL12905219 | 0.71 | CHRM2 (0.43) | HDAC6HDAC1CHRM2HDAC8HDAC5 | |
| SCHEMBL18997800 | 0.71 | CHRNB2 (0.35) | PARP1CCR5 | |
| SCHEMBL12888973 | 0.71 | CHRM2 (0.43) | HDAC6HDAC1CHRM2HDAC8HDAC5 | |
| SCHEMBL15934068 | 0.71 | CHRM2 (0.43) | HDAC6HDAC1CHRM2HDAC8HDAC5 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 | HDAC6 2632/4885HDAC1 3056/4885CHRM2 68/4885 |
“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.