Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1198209 | 0.80 | NR1H2 (0.39) | NR1H2ADORA1ESR2KDM4EMAPT | |
| SCHEMBL2274541 | 0.78 | ADORA1 (0.40) | NR1H2ADORA1ESR2KDM4EMAPT | |
| SCHEMBL6356445 | 0.74 | NR1H2 (0.39) | NR1H2ADORA1ESR2KDM4EMAPT | |
| SCHEMBL22720838 | 0.73 | NR1H2 (0.41) | NR1H2ESR2KDM4EMAPTBCHE | |
| SCHEMBL14855016 | 0.72 | ESR2 (0.36) | NR1H2ADORA1ESR2KDM4EMAPT | |
| SCHEMBL17868342 | 0.72 | ESR2 (0.36) | NR1H2ADORA1ESR2KDM4EMAPT | |
| SCHEMBL15390474 | 0.70 | NR1H2 (0.39) | NR1H2ADORA1ESR2KDM4EMAPT | |
| SCHEMBL4439029 | 0.70 | NR1H2 (0.42) | NR1H2ADORA1ESR2KDM4EMAPT | |
| SCHEMBL28831819 | 0.70 | ESR2 (0.40) | NR1H2ESR2KDM4EMAPTBCHE | |
| Acetic Acid SCHEMBL28215593 | 0.70 | SMN1; SMN2 (0.40) | NR1H2ADORA1ESR2KDM4EMAPT |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2039694-B1 | CGRP receptor antagonists | MERCK SHARP & DOHME (US) | 2014-03-26 | — | — | EP | disclosed |
| US-7893052-B2 | CGRP receptor antagonists | MERCK SHARP & DOHME LLC | 2011-02-22 | — | — | US | disclosed |
| US-20100298303-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-11-25 | — | — | US | disclosed |
| US-7772224-B2 | Calcitonin gene-related peptide (CGRP) receptor antagonists such as N-[1-(2,3-Difluorobenzyl)-5-oxo-4-(2,22-trifluoroethyl)-1,4-diazepan-6-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide, used for treating headaches | MERCK SHARP & DOHME CORP. (US) | 2010-08-10 | — | — | US | disclosed |
| US-7745427-B2 | CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2010-06-29 | — | — | US | disclosed |
| EP-1641423-B1 | BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2010-03-17 | — | — | EP | disclosed |
| US-20090192139-A1 | Calcitonin gene-related peptide (CGRP) receptor antagonists such as N-[1-(2,3-Difluorobenzyl)-5-oxo-4-(2,22-trifluoroethyl)-1,4-diazepan-6-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide, used for treating headaches | MERCK SHARP & DOHME LLC | 2009-07-30 | — | — | US | disclosed |
| US-7534784-B2 | ligands for Calcitonin gene related peptide; azepinone ligands; migranes; N-[5-(2,3-Difluorophenyl)-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide | MERCK + CO., INC. (US) | 2009-05-19 | — | — | US | disclosed |
| EP-2039694-A1 | CGRP receptor antagonists | Merck & Co., Inc. (US) | 2009-03-25 | — | — | EP | disclosed |
| US-7476665-B2 | Benzodiazepine CGRP receptor antagonists | MERCK & CO., INC. (US) | 2009-01-13 | — | — | US | disclosed |
| US-7235545-B2 | CGRP receptor antagonists | MERCK & CO., INC. (US) | 2007-06-26 | — | — | US | disclosed |
| US-20070111204-A1 | Methods for detecting nucleic acid variations | TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA, THE | 2007-05-17 | — | — | US | disclosed |
| US-20060135511-A1 | Benzodiazepine cgrp receptor antagonists | MERCK SHARP & DOHME LLC | 2006-06-22 | — | — | US | disclosed |
| EP-1641423-A2 | BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2006-04-05 | — | — | EP | disclosed |
| EP-1638969-A2 | CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2006-03-29 | — | — | EP | disclosed |
| US-20050256098-A1 | CGRP receptor antagonists | MERCK SHARP & DOHME LLC | 2005-11-17 | — | — | US | disclosed |
| US-6953790-B2 | CGRP receptor antagonists | MERCK & CO., INC. (US) | 2005-10-11 | — | — | US | disclosed |
| WO-2005013894-A2 | BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2005-02-17 | — | — | WO | disclosed |
| US-20040229861-A1 | CGRP receptor antagonists | MERCK SHARP & DOHME LLC | 2004-11-18 | — | — | US | disclosed |
| WO-2004092166-A2 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2004-10-28 | — | — | 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 (6 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-20060135511-A1 | Benzodiazepine cgrp receptor antagonists | NPY1R, NPY2R, CCKBR | NR1H2 448/4885ADORA1 312/4885ESR2 736/4885 |
| US-20040229861-A1 | CGRP receptor antagonists | CCKBR, CCKAR, CALCRL | NR1H2 641/4885ADORA1 203/4885ESR2 973/4885 |
| US-20090192139-A1 | Calcitonin gene-related peptide (CGRP) receptor antagonists such as N-[1-(2,3-Difluorobenzyl)-5-oxo-4-(2,22-trifluoroethyl)-1,4-diazepan-6-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide, used for treating headaches | CALCRL, CALCB, CALCR | NR1H2 742/4885ADORA1 380/4885ESR2 846/4885 |
| US-20070111204-A1 | Methods for detecting nucleic acid variations | POLN, LIG4, NCL | NR1H2 4792/4885ADORA1 3778/4885ESR2 4484/4885 |
| US-20050256098-A1 | CGRP receptor antagonists | CCKBR, BDKRB1, BDKRB2 | NR1H2 704/4885ADORA1 173/4885ESR2 1076/4885 |
| US-20100298303-A1 | CGRP RECEPTOR ANTAGONISTS | CCKBR, BDKRB1, BDKRB2 | NR1H2 704/4885ADORA1 173/4885ESR2 1076/4885 |
“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.