Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 19/20 | 0.39 |
| ▸ | RAMP1 | O60894 | 2/20 | 0.36 |
| ▸ | CALCA | P06881 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2901939 | 0.88 | CALCRL (0.39) | CALCRLRAMP1CALCA | |
| SCHEMBL1197623 | 0.82 | CALCRL (0.46) | CALCRLRAMP1CALCA | |
| SCHEMBL14346482 | 0.78 | CALCRL (0.39) | CALCRLRAMP1CALCA | |
| SCHEMBL1198170 | 0.78 | CALCRL (0.39) | CALCRLRAMP1CALCA | |
| SCHEMBL2765801 | 0.71 | CALCRL (0.49) | CALCRLRAMP1CALCA | |
| SCHEMBL1198555 | 0.71 | KMT2A (0.33) | CALCRLRAMP1 | |
| SCHEMBL1197771 | 0.70 | CALCRL (0.51) | CALCRLRAMP1CALCA | |
| SCHEMBL1198304 | 0.67 | CALCRL (0.79) | CALCRLRAMP1CALCA | |
| SCHEMBL13481976 | 0.67 | CALCRL (0.77) | CALCRLRAMP1 | |
| SCHEMBL1197770 | 0.66 | CALCRL (0.56) | CALCRLRAMP1CALCA |
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 |
|---|---|---|---|---|---|---|---|
| US-7893052-B2 | CGRP receptor antagonists | MERCK SHARP & DOHME LLC | 2011-02-22 | — | — | 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-7659264-B2 | CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2010-02-09 | — | — | US | 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 |
| US-20080280857-A1 | CGRP receptor antagonists | MERCK SHARP & DOHME LLC | 2008-11-13 | — | — | US | disclosed |
| US-7235545-B2 | CGRP receptor antagonists | MERCK & CO., INC. (US) | 2007-06-26 | — | — | US | disclosed |
| US-20050256098-A1 | CGRP receptor antagonists | MERCK SHARP & DOHME LLC | 2005-11-17 | — | — | 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 (3 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-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 | CALCRL 1/4885RAMP1 226/4885CALCA 4/4885 |
| US-20050256098-A1 | CGRP receptor antagonists | CCKBR, BDKRB1, BDKRB2 | CALCRL 6/4885RAMP1 187/4885CALCA 23/4885 |
| US-20080280857-A1 | CGRP receptor antagonists | CCKBR, BDKRB1, BDKRB2 | CALCRL 6/4885RAMP1 187/4885CALCA 23/4885 |
“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.