Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1813803 | 1.00 | ALDH1A1 (0.55) | ALDH1A1KMT2AKDM4EMEN1SIGMAR1 | |
| SCHEMBL2101463 | 0.89 | ALDH1A1 (0.70) | ALDH1A1KMT2AKDM4EMEN1SIGMAR1 | |
| SCHEMBL4051244 | 0.84 | SMN1; SMN2 (0.45) | ALDH1A1KMT2AKDM4EMEN1SIGMAR1 | |
| SCHEMBL1810009 | 0.83 | KDM4E (0.46) | ALDH1A1KMT2AKDM4EMEN1SIGMAR1 | |
| SCHEMBL4047755 | 0.83 | DRD4 (0.39) | ALDH1A1KMT2AKDM4EMEN1SIGMAR1 | |
| SCHEMBL17506440 | 0.83 | ALDH1A1 (0.40) | ALDH1A1KMT2AKDM4EMEN1SIGMAR1 | |
| SCHEMBL17870715 | 0.82 | ALDH1A1 (0.44) | ALDH1A1KMT2AKDM4EMEN1 | |
| SCHEMBL17870716 | 0.82 | ALDH1A1 (0.44) | ALDH1A1KMT2AKDM4EMEN1 | |
| SCHEMBL17870727 | 0.82 | ALDH1A1 (0.40) | ALDH1A1KMT2AKDM4EMEN1SIGMAR1 | |
| SCHEMBL17870726 | 0.82 | ALDH1A1 (0.40) | ALDH1A1KMT2AKDM4EMEN1SIGMAR1 |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1912653-B1 | HETEROCYCLIC BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2014-01-01 | — | — | EP | disclosed |
| US-8163737-B2 | CGRP receptor antagonists | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-04-24 | — | — | US | disclosed |
| EP-1861399-B1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2011-12-14 | — | — | EP | disclosed |
| US-8039460-B2 | CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headache; compounds based on 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine or 6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine | MERCK SHARP & DOHME CORP. (US) | 2011-10-18 | — | — | 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-7834000-B2 | CGRP receptor antagonists | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-11-16 | — | — | US | disclosed |
| EP-1615914-B1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2010-05-05 | — | — | EP | disclosed |
| US-20090176769-A1 | CGRP RECEPTOR ANTAGONISTS | VERTEX PHARMACEUTICALS INCORPORATED | 2009-07-09 | — | — | US | disclosed |
| US-20090105228-A1 | Heterocyclic benzodiazepine cgrp receptor antagonists | MERCK SHARP & DOHME LLC | 2009-04-23 | — | — | US | disclosed |
| US-20080113966-A1 | Cgrp Receptor Antagonists | MERCK SHARP & DOHME LLC | 2008-05-15 | — | — | US | disclosed |
| EP-1912653-A2 | HETEROCYCLIC BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2008-04-23 | — | — | EP | disclosed |
| US-20080004261-A1 | CGRP receptor antagonists | VERTEX PHARMACEUTICALS INCORPORATED | 2008-01-03 | — | — | US | disclosed |
| EP-1861399-A2 | CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-12-05 | — | — | EP | disclosed |
| EP-1802637-A1 | CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-07-04 | — | — | EP | 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 |
| WO-2007016087-A2 | HETEROCYCLIC BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-02-08 | — | — | WO | disclosed |
| WO-2006099268-A2 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-09-21 | — | — | WO | disclosed |
| US-20060194783-A1 | Cgrp receptor antagonists | MERCK SHARP & DOHME LLC | 2006-08-31 | — | — | US | disclosed |
| WO-2006044504-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-04-27 | — | — | WO | 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 (5 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 | ALDH1A1 2910/4885KMT2A 3393/4885KDM4E 2906/4885 |
| US-20090176769-A1 | CGRP RECEPTOR ANTAGONISTS | CALCRL, CALCR, GRPR | ALDH1A1 1645/4885KMT2A 4447/4885KDM4E 4442/4885 |
| US-20060194783-A1 | Cgrp receptor antagonists | BDKRB1, CCKBR, BDKRB2 | ALDH1A1 3052/4885KMT2A 3534/4885KDM4E 2983/4885 |
| US-20080113966-A1 | Cgrp Receptor Antagonists | BDKRB1, BDKRB2, CCKBR | ALDH1A1 3245/4885KMT2A 4048/4885KDM4E 3661/4885 |
| US-20080004261-A1 | CGRP receptor antagonists | CALCRL, CALCR, GRPR | ALDH1A1 1645/4885KMT2A 4447/4885KDM4E 4442/4885 |
“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.