Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | CXCR4 | P61073 | 9/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KDM5C | P41229 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17002547 | 0.84 | ALOX15 (0.38) | CXCR4KMT2AHRH3ALOX15ALDH1A1 | |
| SCHEMBL352052 | 0.82 | HTT (0.40) | MEN1KMT2AHRH3ALOX15PTPN1 | |
| SCHEMBL6475272 | 0.81 | ALOX15 (0.36) | ALOX15 | |
| SCHEMBL14569839 | 0.81 | ALDH1A1 (0.42) | TDP1ALOX15PTPN1LMNAALDH1A1 | |
| SCHEMBL4982004 | 0.79 | HPGD (0.43) | CXCR4MEN1KMT2AHRH3ALOX15 | |
| SCHEMBL19853515 | 0.77 | ACHE (0.42) | HRH3ALOX15ALDH1A1 | |
| SCHEMBL14558083 | 0.77 | ALDH1A1 (0.36) | TDP1HRH3ALOX15ALDH1A1 | |
| SCHEMBL17002581 | 0.73 | ALDH1A1 (0.31) | ALOX15ALDH1A1 | |
| SCHEMBL13254297 | 0.68 | ALDH1A1 (0.52) | MEN1KMT2AALDH1A1 | |
| SCHEMBL19288768 | 0.68 | SIGMAR1 (0.43) | SIGMAR1CXCR4MEN1CHRM2CHRM1 |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2595483-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2017-03-22 | — | — | EP | disclosed |
| EP-2595483-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2017-03-22 | — | — | EP | disclosed |
| US-9186354-B2 | Pyrrolidine derived β3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2015-11-17 | — | — | US | disclosed |
| US-9186354-B2 | Pyrrolidine derived β3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2015-11-17 | — | — | US | disclosed |
| CN-103140134-B | The beta 3 adrenoreceptor agonists that new tetramethyleneimine is derivative | MERCK SHARP & DOHME CORP. (US) | 2015-07-29 | — | — | CN | disclosed |
| US-20140315912-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME LLC | 2014-10-23 | — | — | US | disclosed |
| US-20140315912-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME LLC | 2014-10-23 | — | — | US | disclosed |
| EP-2470021-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2014-10-22 | — | — | EP | disclosed |
| EP-2470021-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2014-10-22 | — | — | EP | disclosed |
| CN-103140134-A | Novel pyrrolidine derived beta 3 adrenergic receptor agonists | MORRIELLO GREGORI J | 2013-06-05 | — | — | CN | disclosed |
| US-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME, CORP. (US) | 2012-06-21 | — | — | US | disclosed |
| WO-2012012314-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-01-26 | — | — | WO | disclosed |
| CN-1312153-C | Pyrrolopyrimidinone derivatives, process for their preparation and their use | SK CHEMICALS CO LTD (KR) | 2007-04-25 | — | — | CN | disclosed |
| US-6962911-B2 | Pyrrolopyrimidinone derivatives, process of preparation and use | SK CHEMICALS CO., LTD. (KR) | 2005-11-08 | — | — | US | disclosed |
| EP-1257553-B1 | PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE | SK CHEMICALS CO LTD (KR) | 2004-05-26 | — | — | EP | disclosed |
| CN-1422271-A | Pyrrolopyrimidinone derivatives, process for their preparation and their use | SK CHEMICALS CO LTD (KR) | 2003-06-04 | — | — | CN | disclosed |
| EP-1257553-A1 | PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE | SK Chemicals Co., Ltd. (KR) | 2002-11-20 | — | — | EP | disclosed |
| WO-2001060825-A1 | PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE | SK CHEMICALS CO., LTD. (KR) | 2001-08-23 | — | — | WO | disclosed |
| EP-0988292-A2 | PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-03-29 | — | — | EP | disclosed |
| WO-1998056771-A2 | PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-12-17 | — | — | 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-20140315912-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | SIGMAR1 145/4885CXCR4 791/4885MEN1 4784/4885 |
| US-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | SIGMAR1 152/4885CXCR4 793/4885MEN1 4791/4885 |
“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.