Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | KDM4A | O75164 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | GLS | O94925 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL481947 | 0.83 | RAB9A (0.58) | NAMPTCYP3A4L3MBTL1GAACYP17A1 | |
| SCHEMBL479925 | 0.81 | CYP3A4 (0.72) | NAMPTCYP3A4L3MBTL1GAALMNA | |
| SCHEMBL3180689 | 0.80 | L3MBTL1 (0.61) | NAMPTL3MBTL1GAAKDM4AMAPT | |
| SCHEMBL19387965 | 0.80 | HDAC6 (0.50) | L3MBTL1LMNAMAPTCA1CA2 | |
| SCHEMBL30708680 | 0.78 | CYP17A1 (0.40) | NAMPTCYP3A4L3MBTL1GAACYP17A1 | |
| SCHEMBL12346711 | 0.78 | NAMPT (0.56) | NAMPTCYP3A4L3MBTL1GAACYP17A1 | |
| SCHEMBL1632519 | 0.78 | L3MBTL1 (0.53) | NAMPTCYP3A4L3MBTL1GAADYRK1A | |
| SCHEMBL506742 | 0.78 | L3MBTL1 (0.53) | NAMPTCYP3A4L3MBTL1GAAKDM4E | |
| SCHEMBL30421298 | 0.77 | KMT2A (0.49) | KDM4EMAPTRECQLNPSR1RAB9A | |
| SCHEMBL16891678 | 0.77 | KMT2A (0.49) | KDM4EMAPTRECQLNPSR1RAB9A |
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-9486448-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2016-11-08 | — | — | US | disclosed |
| US-9486448-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2016-11-08 | — | — | US | disclosed |
| US-20160235727-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-08-18 | — | — | US | disclosed |
| US-20160235727-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-08-18 | — | — | US | disclosed |
| WO-2015050798-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-04-09 | — | — | 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-20160235727-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | NAMPT 2796/4885CYP3A4 1226/4885L3MBTL1 3956/4885 |
“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.