Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PTGIR | P43119 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1198330 | 1.00 | KDM4E (0.46) | KDM4EHDAC1HDAC6AOC3MEN1 | |
| SCHEMBL1198493 | 0.81 | BACE1 (0.45) | KDM4EAOC3MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL1198492 | 0.81 | BACE1 (0.45) | KDM4EAOC3MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4732524 | 0.76 | AOC3 (0.47) | KDM4EAOC3MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4732525 | 0.76 | AOC3 (0.47) | KDM4EAOC3MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL3372477 | 0.75 | HDAC1 (0.58) | KDM4EHDAC1HDAC6MEN1KMT2A | |
| SCHEMBL11101163 | 0.74 | AOC3 (0.46) | KDM4EAOC3MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL9237339 | 0.73 | CES2 (0.47) | HDAC1HDAC6PKMPTGIR | |
| SCHEMBL15311237 | 0.73 | AOC3 (0.54) | KDM4EAOC3MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL15311235 | 0.73 | AOC3 (0.54) | KDM4EAOC3MEN1KMT2ASMN1; SMN2 |
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 21 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-1615914-B1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2010-05-05 | — | — | 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-7491713-B2 | CGRP receptor antagonists | MERCK + CO., INC. (US) | 2009-02-17 | — | — | 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-20070287696-A1 | Cgrp Receptor Antagonists | MERCK SHARP & DOHME LLC | 2007-12-13 | — | — | 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-7205292-B2 | Piperidines containing a lactam ring and a quinolinone, benzimidazolone, quinazolinone or benzodiazepinone group, e.g. N-[3R,7R)-1-(Cyclopropylmethyl)-2-oxo-7-phenylazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3 (2H-yl)piperidine-1-carboxamide; treating headaches, migraine headaches and cluster headaches | MERCK & CO., INC. (US) | 2007-04-17 | — | — | US | disclosed |
| US-20060194783-A1 | Cgrp receptor antagonists | MERCK SHARP & DOHME LLC | 2006-08-31 | — | — | US | 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 |
| 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 (9 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-20060194783-A1 | Cgrp receptor antagonists | BDKRB1, CCKBR, BDKRB2 | KDM4E 2983/4885HDAC1 1981/4885HDAC6 3889/4885 |
| US-20080090806-A1 | Cgrp Receptor Antagonists | CCKBR, BDKRB1, BDKRB2 | KDM4E 2550/4885HDAC1 2130/4885HDAC6 3599/4885 |
| US-20040229861-A1 | CGRP receptor antagonists | CCKBR, CCKAR, CALCRL | KDM4E 2713/4885HDAC1 2330/4885HDAC6 3812/4885 |
| 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 | KDM4E 1354/4885HDAC1 1677/4885HDAC6 3630/4885 |
| US-20050256098-A1 | CGRP receptor antagonists | CCKBR, BDKRB1, BDKRB2 | KDM4E 2701/4885HDAC1 2391/4885HDAC6 3834/4885 |
| US-20100298303-A1 | CGRP RECEPTOR ANTAGONISTS | CCKBR, BDKRB1, BDKRB2 | KDM4E 2701/4885HDAC1 2391/4885HDAC6 3834/4885 |
| US-20070287696-A1 | Cgrp Receptor Antagonists | BDKRB1, BDKRB2, CCKBR | KDM4E 4096/4885HDAC1 2824/4885HDAC6 4511/4885 |
| US-20070225272-A1 | CGRP receptor antagonists | CCKBR, BDKRB1, BDKRB2 | KDM4E 2701/4885HDAC1 2391/4885HDAC6 3834/4885 |
| US-20080280857-A1 | CGRP receptor antagonists | CCKBR, BDKRB1, BDKRB2 | KDM4E 2701/4885HDAC1 2391/4885HDAC6 3834/4885 |
“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.