Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL9965954 | 0.80 | SIGMAR1 (0.33) | CHRNA7 | |
| SCHEMBL9963292 | 0.80 | CYP2D6 (0.33) | CHRNA7CYP2D6 | |
| SCHEMBL9963287 | 0.73 | CYP2D6 (0.38) | CHRNA7CYP2D6 | |
| SCHEMBL10255833 | 0.73 | CYP2D6 (0.38) | CHRNA7CYP2D6 | |
| SCHEMBL7167366 | 0.72 | TSHR (0.43) | — | |
| SCHEMBL7167365 | 0.72 | TSHR (0.43) | — | |
| SCHEMBL8432322 | 0.71 | TSHR (0.48) | — | |
| SCHEMBL5149872 | 0.69 | CHRNA7 (1.00) | CHRNA7CYP2D6 | |
| SCHEMBL27050945 | 0.67 | CYP2D6 (0.33) | CYP2D6 | |
| SCHEMBL9963247 | 0.63 | LTA4H (0.37) | CYP2D6 |
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 2 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-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 (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 | CHRNA7 33/4885CYP2D6 1147/4885 |
“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.