Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 6/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | FNTA | P49354 | 2/20 | 0.50 |
| ▸ | FNTB | P49356 | 2/20 | 0.50 |
| ▸ | PGGT1B | P53609 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | GRM5 | P41594 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL17485677 | 0.87 | KDM4E (0.74) | GRIN2BKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL13150170 | 0.84 | KDM4E (0.60) | GRIN2BCYP2D6CYP2C9CYP3A4KDM4E | |
| SCHEMBL5714373 | 0.80 | ALDH1A1 (0.49) | KDM4EALDH1A1NPSR1 | |
| SCHEMBL8263854 | 0.80 | ALDH1A1 (0.55) | GRIN2BCYP2D6CYP2C9CYP3A4KDM4E | |
| SCHEMBL3970912 | 0.78 | MEN1 (0.76) | GRIN2BCYP2D6CYP2C9ALDH1A1MEN1 | |
| SCHEMBL7393652 | 0.78 | MEN1 (0.76) | GRIN2BCYP2D6CYP2C9ALDH1A1MEN1 | |
| SCHEMBL4814264 | 0.78 | MEN1 (0.76) | GRIN2BCYP2D6CYP2C9ALDH1A1MEN1 | |
| SCHEMBL379160 | 0.78 | MEN1 (0.76) | GRIN2BCYP2D6CYP2C9ALDH1A1MEN1 | |
| SCHEMBL23301332 | 0.77 | FAAH (0.61) | GRIN2BKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL13150429 | 0.77 | FAAH (0.63) | GRIN2BKDM4EALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2632457-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2017-03-22 | — | — | EP | disclosed |
| US-8933102-B2 | Pyrrolidine derived β3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2015-01-13 | — | — | US | disclosed |
| EP-2470021-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2014-10-22 | — | — | EP | disclosed |
| EP-2632457-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | Merck Sharp & Dohme Corp. (US) | 2013-09-04 | — | — | EP | disclosed |
| US-20130225599-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | Life Technologies Corporation (US) | 2013-08-29 | — | — | 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 |
| WO-2012058130-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-05-03 | — | — | 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 (2 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 | GRIN2B 1257/4885CYP2D6 1147/4885CYP2C9 1267/4885 |
| US-20130225599-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | GRIN2B 888/4885CYP2D6 824/4885CYP2C9 1201/4885 |
“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.