Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KHK | P50053 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | PLAUR | Q03405 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TRPC3 | Q13507 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16221852 | 0.83 | PLAUR (0.54) | HTR3AHRH4KDM4EALDH1A1KHK | |
| SCHEMBL14410196 | 0.82 | HTR3A (0.46) | HTR3AHRH4KDM4EALDH1A1PKM | |
| SCHEMBL14192125 | 0.81 | HTR2B (0.55) | PKMKMT2A | |
| SCHEMBL30852213 | 0.80 | PDE10A (0.54) | KDM4EPKMPDE10A | |
| SCHEMBL29101812 | 0.79 | MEN1 (0.57) | KDM4EALDH1A1KHKMEN1KMT2A | |
| SCHEMBL30637059 | 0.79 | MEN1 (0.57) | KDM4EALDH1A1KHKMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL3889358 | 0.77 | PLAUR (0.47) | HTR3AKDM4EALDH1A1KHKMEN1 | |
| SCHEMBL30852108 | 0.72 | GRIN2B (0.68) | MEN1KMT2ATRPC3NPC1RAB9A | |
| SCHEMBL9091174 | 0.70 | KDM4E (0.70) | HTR3AHRH4KDM4EALDH1A1KHK | |
| SCHEMBL28558393 | 0.69 | NPC1 (0.52) | KDM4EALDH1A1KHKPKMMEN1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7994325-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 SHARP & DOHME CORP. (US) | 2011-08-09 | — | — | US | disclosed |
| US-7994325-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 SHARP & DOHME CORP. (US) | 2011-08-09 | — | — | US | disclosed |
| US-7947678-B2 | Heterocyclic benzodiazepine CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-05-24 | — | — | US | disclosed |
| US-7947678-B2 | Heterocyclic benzodiazepine CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-05-24 | — | — | US | disclosed |
| US-7732438-B2 | CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2010-06-08 | — | — | US | disclosed |
| US-7732438-B2 | CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2010-06-08 | — | — | US | disclosed |
| US-20090105228-A1 | Heterocyclic benzodiazepine cgrp receptor antagonists | MERCK SHARP & DOHME LLC | 2009-04-23 | — | — | US | disclosed |
| US-20090105228-A1 | Heterocyclic benzodiazepine cgrp receptor antagonists | MERCK SHARP & DOHME LLC | 2009-04-23 | — | — | US | disclosed |
| US-20080261972-A1 | Cgrp Receptor Antagonists | MERCK SHARP & DOHME LLC | 2008-10-23 | — | — | US | disclosed |
| US-20080261972-A1 | Cgrp Receptor Antagonists | MERCK SHARP & DOHME LLC | 2008-10-23 | — | — | US | disclosed |
| US-20070287697-A1 | Cgrp Receptor Antagonists | MERCK SHARP & DOHME LLC | 2007-12-13 | — | — | US | disclosed |
| US-20070287697-A1 | Cgrp Receptor Antagonists | MERCK SHARP & DOHME LLC | 2007-12-13 | — | — | 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-20090105228-A1 | Heterocyclic benzodiazepine cgrp receptor antagonists | BDKRB2, BDKRB1, CCKBR | HTR3A 133/4885HRH4 60/4885KDM4E 2906/4885 |
| US-20080261972-A1 | Cgrp Receptor Antagonists | BDKRB1, CALCRL, NPY1R | HTR3A 166/4885HRH4 120/4885KDM4E 4170/4885 |
| US-20070287697-A1 | Cgrp Receptor Antagonists | BDKRB1, BDKRB2, CCKBR | HTR3A 251/4885HRH4 44/4885KDM4E 3806/4885 |
“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.