Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL2896818 | 1.00 | ALDH1A1 (0.46) | ALDH1A1KDM4ENPC1SMN1; SMN2HTT | |
| SCHEMBL2901240 | 0.94 | ALDH1A1 (0.42) | ALDH1A1KDM4ENPC1SMN1; SMN2HTT | |
| SCHEMBL12219112 | 0.89 | NPC1 (0.43) | ALDH1A1KDM4ENPC1SMN1; SMN2HTT | |
| SCHEMBL1198094 | 0.89 | NPC1 (0.44) | ALDH1A1KDM4ENPC1SMN1; SMN2HTT | |
| SCHEMBL2898134 | 0.88 | ALDH1A1 (0.43) | ALDH1A1KDM4ENPC1SMN1; SMN2HTT | |
| SCHEMBL2898137 | 0.88 | ALDH1A1 (0.43) | ALDH1A1KDM4ENPC1SMN1; SMN2HTT | |
| SCHEMBL2890565 | 0.86 | ALDH1A1 (0.40) | ALDH1A1KDM4ENPC1SMN1; SMN2HTT | |
| SCHEMBL2890561 | 0.86 | ALDH1A1 (0.40) | ALDH1A1KDM4ENPC1SMN1; SMN2HTT | |
| SCHEMBL1198092 | 0.82 | ALDH1A1 (0.46) | ALDH1A1KDM4ENPC1SMN1; SMN2HTT | |
| SCHEMBL12219109 | 0.80 | NPC1 (0.43) | ALDH1A1KDM4ENPC1SMN1; SMN2HTT |
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 22 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 |
| EP-1799672-B1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2013-01-02 | — | — | EP | 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-20100113419-A1 | CGRP RECEPTOR ANTAGONISTS | BURGEY CHRISTOPHER S | 2010-05-06 | — | — | US | disclosed |
| EP-1615914-B1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2010-05-05 | — | — | EP | 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-20080090806-A1 | Cgrp Receptor Antagonists | MERCK SHARP & DOHME LLC | 2008-04-17 | — | — | US | disclosed |
| US-20080070899-A1 | Cgrp Receptor Antagonists | MERCK SHARP & DOHME LLC | 2008-03-20 | — | — | 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 (10 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-20080070899-A1 | Cgrp Receptor Antagonists | BDKRB1, CCKBR, CALCRL | ALDH1A1 3446/4885KDM4E 2718/4885NPC1 1300/4885 |
| US-20060194783-A1 | Cgrp receptor antagonists | BDKRB1, CCKBR, BDKRB2 | ALDH1A1 3052/4885KDM4E 2983/4885NPC1 1167/4885 |
| US-20080090806-A1 | Cgrp Receptor Antagonists | CCKBR, BDKRB1, BDKRB2 | ALDH1A1 3531/4885KDM4E 2550/4885NPC1 1540/4885 |
| US-20040229861-A1 | CGRP receptor antagonists | CCKBR, CCKAR, CALCRL | ALDH1A1 3242/4885KDM4E 2713/4885NPC1 1303/4885 |
| 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 | ALDH1A1 3158/4885KDM4E 1354/4885NPC1 1798/4885 |
| US-20050256098-A1 | CGRP receptor antagonists | CCKBR, BDKRB1, BDKRB2 | ALDH1A1 3512/4885KDM4E 2701/4885NPC1 1488/4885 |
| US-20100298303-A1 | CGRP RECEPTOR ANTAGONISTS | CCKBR, BDKRB1, BDKRB2 | ALDH1A1 3512/4885KDM4E 2701/4885NPC1 1488/4885 |
| US-20070225272-A1 | CGRP receptor antagonists | CCKBR, BDKRB1, BDKRB2 | ALDH1A1 3512/4885KDM4E 2701/4885NPC1 1488/4885 |
| US-20100113419-A1 | CGRP RECEPTOR ANTAGONISTS | BDKRB1, CCKBR, BDKRB2 | ALDH1A1 3251/4885KDM4E 2369/4885NPC1 1277/4885 |
| US-20080280857-A1 | CGRP receptor antagonists | CCKBR, BDKRB1, BDKRB2 | ALDH1A1 3512/4885KDM4E 2701/4885NPC1 1488/4885 |
“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.