Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Atogepant. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL known ✓ | Q16602 | 20/20 | 0.99 |
| ▸ | RAMP1 | O60894 | 13/20 | 0.99 |
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 | |
|---|---|---|---|---|
| Atogepant SCHEMBL22259545 | 0.99 | CALCRL (1.00) | CALCRLRAMP1 | |
| Atogepant SCHEMBL4570348 | 0.99 | CALCRL (1.00) | CALCRLRAMP1 | |
| Atogepant SCHEMBL30603188 | 0.99 | CALCRL (1.00) | CALCRLRAMP1 | |
| Atogepant SCHEMBL29371653 | 0.99 | CALCRL (1.00) | CALCRLRAMP1 | |
| Atogepant SCHEMBL31611055 | 0.99 | CALCRL (1.00) | CALCRLRAMP1 | |
| Atogepant SCHEMBL19750880 | 0.99 | CALCRL (1.00) | CALCRLRAMP1 | |
| Atogepant SCHEMBL16652662 | 0.99 | CALCRL (0.99) | CALCRLRAMP1 | |
| Atogepant SCHEMBL16653020 | 0.99 | CALCRL (0.99) | CALCRLRAMP1 | |
| Atogepant SCHEMBL35210098 | 0.99 | CALCRL (0.99) | CALCRLRAMP1 | |
| Atogepant SCHEMBL16652952 | 0.99 | CALCRL (0.99) | CALCRLRAMP1 |
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-2849568-B1 | PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2020-04-15 | — | — | EP | disclosed |
| EP-3430906-A1 | CRYSTALLINE FORMS OF CGRP RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2019-01-23 | — | — | EP | disclosed |
| US-10106541-B2 | Intermediates for preparing CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2018-10-23 | — | — | US | disclosed |
| US-20180127417-A1 | INTERMEDIATES FOR PREPARING CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2018-05-10 | — | — | US | disclosed |
| US-9850246-B2 | Process for making CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2017-12-26 | — | — | US | disclosed |
| US-20160130273-A1 | Process for Making CGRP Receptor Antagonists | MERCK SHARP & DOHME CORP. (US) | 2016-05-12 | — | — | US | disclosed |
| US-9174989-B2 | Process for making CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2015-11-03 | — | — | US | disclosed |
| US-20150112067-A1 | PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2015-04-23 | — | — | US | 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-10106541-B2 | Intermediates for preparing CGRP receptor antagonists | CALCR, CALCRL, VIPR1 | CALCRL 2/4885RAMP1 11/4885 |
| US-20180127417-A1 | INTERMEDIATES FOR PREPARING CGRP RECEPTOR ANTAGONISTS | CALCR, CALCRL, VIPR1 | CALCRL 2/4885RAMP1 11/4885 |
| US-20150112067-A1 | PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS | CCKBR, BDKRB2, CALCR | CALCRL 7/4885RAMP1 19/4885 |
| US-20160130273-A1 | Process for Making CGRP Receptor Antagonists | CALCR, CALCRL, VIPR1 | CALCRL 2/4885RAMP1 6/4885 |
“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.