Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | RGS12 | O14924 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18893313 | 1.00 | AOC3 (0.45) | AOC3CYP3A4CYP2D6ADRA2CCYP2C9 | |
| SCHEMBL21163942 | 1.00 | AOC3 (0.45) | AOC3CYP3A4CYP2D6ADRA2CCYP2C9 | |
| SCHEMBL18887989 | 0.84 | AOC3 (0.49) | AOC3CYP3A4CYP2D6ADRA2CCYP2C9 | |
| SCHEMBL17994223 | 0.81 | AOC3 (0.43) | AOC3CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21337012 | 0.80 | AOC3 (0.42) | AOC3CYP3A4CYP2D6ADRA2CCYP2C9 | |
| SCHEMBL18893314 | 0.78 | CYP1A2 (0.41) | CYP3A4CYP2D6ADRA2CADRA1APKM | |
| SCHEMBL21336975 | 0.77 | AOC3 (0.42) | AOC3CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21336972 | 0.77 | AOC3 (0.42) | AOC3CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21336987 | 0.77 | AOC3 (0.42) | AOC3CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21336985 | 0.77 | AOC3 (0.42) | AOC3CYP3A4CYP2D6CYP2C9CYP2C19 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11649243-B2 | Process for preparing beta 3 agonists and intermediates | MERCK SHARP & DOHME CORP. (US) | 2023-05-16 | — | — | US | disclosed |
| US-11091493-B2 | Process for preparing beta 3 agonists and intermediates | MERCK SHARP & DOHME CORP. (US) | 2021-08-17 | — | — | US | disclosed |
| US-20200392141-A1 | PROCESS FOR PREPARING BETA 3 AGONISTS AND INTERMEDIATES | MERCK SHARP & DOHME CORP. | 2020-12-17 | — | — | US | disclosed |
| US-10696681-B2 | Process for preparing beta 3 agonists and intermediates | MERCK SHARP & DOHME CORPORATION (US) | 2020-06-30 | — | — | US | disclosed |
| US-20190194211-A1 | PROCESS FOR PREPARING BETA 3 AGONISTS AND INTERMEDIATES | MERCK SHARP & DOHME LLC | 2019-06-27 | — | — | US | disclosed |
| US-10287289-B2 | Process for preparing beta 3 agonists and intermediates | MERCK SHARP & DOHME CORP. (US) | 2019-05-14 | — | — | US | disclosed |
| US-20170145014-A1 | PROCESS FOR PREPARING BETA 3 AGONISTS AND INTERMEDIATES | MERCK SHARP & DOHME CORP. (US) | 2017-05-25 | — | — | US | disclosed |
| WO-2014150639-A1 | PROCESS FOR PREPARING BETA 3 AGONISTS AND INTERMEDIATES | MERCK SHARP & DOHME CORP. (US) | 2014-09-25 | — | — | 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 (7 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-11649243-B2 | Process for preparing beta 3 agonists and intermediates | ADRB3, ADRA1D, ADRB1 | AOC3 172/4885CYP3A4 86/4885CYP2D6 149/4885 |
| US-11091493-B2 | Process for preparing beta 3 agonists and intermediates | ADRB3, ADRA1D, ADRB1 | AOC3 163/4885CYP3A4 77/4885CYP2D6 131/4885 |
| US-20200392141-A1 | PROCESS FOR PREPARING BETA 3 AGONISTS AND INTERMEDIATES | ADRB3, ADRA1D, ADRB1 | AOC3 172/4885CYP3A4 86/4885CYP2D6 149/4885 |
| US-10287289-B2 | Process for preparing beta 3 agonists and intermediates | ADRB3, ADRA1D, ADRB1 | AOC3 172/4885CYP3A4 86/4885CYP2D6 149/4885 |
| US-10696681-B2 | Process for preparing beta 3 agonists and intermediates | ADRB3, ADRA1D, ADRB1 | AOC3 172/4885CYP3A4 86/4885CYP2D6 149/4885 |
| US-20170145014-A1 | PROCESS FOR PREPARING BETA 3 AGONISTS AND INTERMEDIATES | ADRB3, ADRA1D, ADRB1 | AOC3 183/4885CYP3A4 81/4885CYP2D6 164/4885 |
| US-20190194211-A1 | PROCESS FOR PREPARING BETA 3 AGONISTS AND INTERMEDIATES | ADRB3, ADRA1D, ADRB1 | AOC3 172/4885CYP3A4 86/4885CYP2D6 149/4885 |
“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.