Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2101049 | 0.89 | EPHX2 (0.49) | KDM4CCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL2100254 | 0.87 | CYP1A2 (0.41) | KDM4CCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL1198634 | 0.87 | KDM4C (0.49) | KDM4CCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL4733035 | 0.87 | KMT2A (0.54) | MEN1KMT2ASMN1; SMN2KDM4EPOLB | |
| SCHEMBL6467853 | 0.79 | PKM (0.40) | MAPTMEN1KMT2ASMN1; SMN2KDM4E | |
| SCHEMBL6467856 | 0.79 | PKM (0.40) | MAPTMEN1KMT2ASMN1; SMN2KDM4E | |
| SCHEMBL3267374 | 0.76 | EPHX2 (0.49) | KDM4CMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL12873829 | 0.75 | MEN1 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C19MEN1 | |
| SCHEMBL27003454 | 0.75 | KMT2A (0.57) | MEN1KMT2ASMN1; SMN2KDM4EMAPK1 | |
| SCHEMBL21274582 | 0.75 | KDM4C (0.45) | KDM4CCYP1A2CYP3A4CYP2D6CYP2C19 |
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 15 patents. 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 |
| 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-7452903-B2 | CGRP receptor antagonists | MERCK & CO., INC. (US) | 2008-11-18 | — | — | US | disclosed |
| US-20080280857-A1 | CGRP receptor antagonists | MERCK SHARP & DOHME LLC | 2008-11-13 | — | — | US | disclosed |
| US-20080090806-A1 | Cgrp Receptor Antagonists | MERCK SHARP & DOHME LLC | 2008-04-17 | — | — | US | disclosed |
| US-20070225272-A1 | CGRP receptor antagonists | MERCK SHARP & DOHME LLC | 2007-09-27 | — | — | US | disclosed |
| US-7235545-B2 | CGRP receptor antagonists | MERCK & CO., INC. (US) | 2007-06-26 | — | — | US | disclosed |
| US-6953790-B2 | CGRP receptor antagonists | MERCK & CO., INC. (US) | 2005-10-11 | — | — | US | disclosed |
| US-20040229861-A1 | CGRP receptor antagonists | MERCK SHARP & DOHME LLC | 2004-11-18 | — | — | 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 (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-20080090806-A1 | Cgrp Receptor Antagonists | CCKBR, BDKRB1, BDKRB2 | KDM4C 3502/4885CYP1A2 2161/4885CYP3A4 3155/4885 |
| US-20040229861-A1 | CGRP receptor antagonists | CCKBR, CCKAR, CALCRL | KDM4C 3908/4885CYP1A2 1950/4885CYP3A4 3378/4885 |
| 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 | KDM4C 1955/4885CYP1A2 1871/4885CYP3A4 2594/4885 |
| US-20100298303-A1 | CGRP RECEPTOR ANTAGONISTS | CCKBR, BDKRB1, BDKRB2 | KDM4C 3619/4885CYP1A2 1991/4885CYP3A4 3228/4885 |
| US-20070225272-A1 | CGRP receptor antagonists | CCKBR, BDKRB1, BDKRB2 | KDM4C 3619/4885CYP1A2 1991/4885CYP3A4 3228/4885 |
| US-20080280857-A1 | CGRP receptor antagonists | CCKBR, BDKRB1, BDKRB2 | KDM4C 3619/4885CYP1A2 1991/4885CYP3A4 3228/4885 |
“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.