Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.64 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.64 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.64 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.64 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.64 |
| ▸ | CALCRL | Q16602 | 18/20 | 0.57 |
| ▸ | TNKS | O95271 | 1/20 | 0.54 |
| ▸ | PARP1 | P09874 | 1/20 | 0.54 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL4564995 | 0.88 | CALCRL (0.53) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL829117 | 0.88 | CALCRL (0.59) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL6580100 | 0.86 | CHRM2 (0.58) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL1197774 | 0.86 | CALCRL (0.55) | CALCRL | |
| SCHEMBL31192594 | 0.86 | CALCRL (0.55) | CALCRL | |
| SCHEMBL12087688 | 0.85 | CALCRL (0.61) | CALCRLTNKSPARP1PARP2 | |
| SCHEMBL2100682 | 0.84 | CALCRL (0.63) | CALCRLTNKSPARP1PARP2 | |
| SCHEMBL13319032 | 0.83 | CHRM2 (0.66) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL13074126 | 0.83 | CALCRL (0.59) | CALCRLTNKSPARP1PARP2 | |
| SCHEMBL1198682 | 0.83 | CALCRL (0.59) | CALCRLTNKSPARP1PARP2 |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090176986-A1 | Process for the Preparation of Pyridine Heterocycle Cgrp Antagonist Intermediate | MERCK SHARP & DOHME CORP. | 2009-07-09 | — | — | US | claimed |
| EP-2007763-A2 | PROCESS FOR THE PREPARATION OF PYRIDINE HETEROCYCLE CGRP ANTAGONIST INTERMEDIATE | Merck & Co., Inc. (US) | 2008-12-31 | — | — | EP | claimed |
| WO-2007120590-A2 | PROCESS FOR THE PREPARATION OF PYRIDINE HETEROCYCLE CGRP ANTAGONIST INTERMEDIATE | MERCK & CO., INC. (US) | 2007-10-25 | — | — | WO | claimed |
| CN-107428744-B | Novel heterocyclic compounds and their use in medicine and cosmetics | 盖尔德马研究及发展公司 | 2021-09-24 | — | — | CN | disclosed |
| US-20100286122-A1 | CGRP Antagonist Salt | MERCK SHARP & DOHME CORP. | 2010-11-11 | — | — | US | disclosed |
| US-20100286122-A1 | CGRP Antagonist Salt | MERCK SHARP & DOHME CORP. | 2010-11-11 | — | — | US | disclosed |
| US-7829699-B2 | Process for the preparation of CGRP antagonist | MERCK SHARP & DOHME CORP. (US) | 2010-11-09 | — | — | US | disclosed |
| US-7829699-B2 | Process for the preparation of CGRP antagonist | MERCK SHARP & DOHME CORP. (US) | 2010-11-09 | — | — | US | disclosed |
| US-7718796-B2 | Process for the preparation of caprolactam CGRP antagonist | MERCK SHARP & DOHME CORP. (US) | 2010-05-18 | — | — | US | disclosed |
| US-7718796-B2 | Process for the preparation of caprolactam CGRP antagonist | MERCK SHARP & DOHME CORP. (US) | 2010-05-18 | — | — | US | disclosed |
| US-20090281306-A1 | efficient synthesis for the preparation of N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1 -carboxamide; salt formation of potassium salt forms; treating migraine and cluster headache | MERCK SHARP & DOHME CORP. | 2009-11-12 | — | — | US | disclosed |
| US-20090124799-A1 | Process for the preparation of Caprolactam Cgrp Antagonist | MERCK SHARP & DOHME CORP. | 2009-05-14 | — | — | US | disclosed |
| EP-2007731-A2 | PROCESS FOR THE PREPARATION OF CAPROLACTAM CGRP ANTAGONIST INTERMEDIATE | Merck & Co., Inc. (US) | 2008-12-31 | — | — | EP | disclosed |
| EP-2007395-A1 | CGRP ANTAGONIST SALT | Merck & Co., Inc. (US) | 2008-12-31 | — | — | EP | disclosed |
| EP-2007764-A1 | PROCESS FOR THE PREPARATION OF CGRP ANTAGONIST | Merck & Co., Inc. (US) | 2008-12-31 | — | — | EP | disclosed |
| EP-2007763-A2 | PROCESS FOR THE PREPARATION OF PYRIDINE HETEROCYCLE CGRP ANTAGONIST INTERMEDIATE | Merck & Co., Inc. (US) | 2008-12-31 | — | — | EP | disclosed |
| WO-2007120589-A2 | PROCESS FOR THE PREPARATION OF CAPROLACTAM CGRP ANTAGONIST INTERMEDIATE | MERCK & CO., INC. (US) | 2007-10-25 | — | — | WO | disclosed |
| WO-2007120592-A1 | CGRP ANTAGONIST SALT | MERCK & CO., INC. (US) | 2007-10-25 | — | — | WO | disclosed |
| WO-2007120591-A1 | PROCESS FOR THE PREPARATION OF CGRP ANTAGONIST | MERCK & CO., INC. (US) | 2007-10-25 | — | — | WO | disclosed |
| WO-2007120590-A2 | PROCESS FOR THE PREPARATION OF PYRIDINE HETEROCYCLE CGRP ANTAGONIST INTERMEDIATE | MERCK & CO., INC. (US) | 2007-10-25 | — | — | 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 (4 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-20090176986-A1 | Process for the Preparation of Pyridine Heterocycle Cgrp Antagonist Intermediate | CCKBR, CALCRL, CALCR | CHRM2 1067/4885CHRM4 798/4885CHRM5 1267/4885 |
| US-20100286122-A1 | CGRP Antagonist Salt | KCNJ2, KCNN3, KCNH2 | CHRM2 1719/4885CHRM4 1490/4885CHRM5 1600/4885 |
| US-20090124799-A1 | Process for the preparation of Caprolactam Cgrp Antagonist | CALCRL, CALCR, CALCA | CHRM2 2073/4885CHRM4 1734/4885CHRM5 1682/4885 |
| US-20090281306-A1 | efficient synthesis for the preparation of N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1 -carboxamide; salt formation of potassium salt forms; treating migraine and cluster headache | KCNJ2, KCNN2, KCNN1 | CHRM2 2805/4885CHRM4 2643/4885CHRM5 2816/4885 |
“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.