Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.60 |
| ▸ | DRD2 | P14416 | 12/20 | 0.58 |
| ▸ | HTR1A | P08908 | 6/20 | 0.58 |
| ▸ | HTR2A | P28223 | 3/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | DRD4 | P21917 | 7/20 | 0.57 |
| ▸ | DRD3 | P35462 | 5/20 | 0.57 |
| ▸ | PARP1 | P09874 | 2/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | HTR6 | P50406 | 2/20 | 0.48 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7866398 | 0.83 | DRD2 (0.61) | KDRDRD2HTR1AHTR2AHTT | |
| SCHEMBL8875223 | 0.80 | PARP1 (0.58) | DRD2HTTDRD4DRD3PARP1 | |
| SCHEMBL16107544 | 0.76 | DRD2 (0.51) | DRD2HTR1AHTR2AHTTDRD4 | |
| SCHEMBL14365776 | 0.75 | DRD2 (0.56) | DRD2HTR1AHTR2AHTTDRD4 | |
| SCHEMBL8873570 | 0.75 | KDR (0.45) | KDRDRD2DRD4DRD3PARP1 | |
| SCHEMBL1719798 | 0.75 | DRD2 (0.76) | DRD2HTR1AHTR2AHTTDRD4 | |
| SCHEMBL8683088 | 0.74 | DRD4 (0.60) | DRD2HTTDRD4DRD3PARP1 | |
| SCHEMBL8874246 | 0.74 | KDR (0.45) | KDRDRD2HTTDRD4DRD3 | |
| SCHEMBL6042752 | 0.74 | DRD2 (0.63) | DRD2HTR1AHTR2AHTTDRD4 | |
| SCHEMBL7543848 | 0.73 | HTR1A (1.00) | DRD2HTR1AHTR2AHTTOPRM1 |
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 55 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 |
| EP-1912653-B1 | HETEROCYCLIC BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2014-01-01 | — | — | EP | disclosed |
| EP-1641781-B1 | Benzodiazepine CGRP receptor antagonists | MERCK SHARP & DOHME (US) | 2013-03-06 | — | — | EP | disclosed |
| US-8163737-B2 | CGRP receptor antagonists | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-04-24 | — | — | US | disclosed |
| US-8163737-B2 | CGRP receptor antagonists | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-04-24 | — | — | US | 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-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-7196079-B2 | Benzodiazepine CGRP receptor antagonists | MERCK & CO, INC. (US) | 2007-03-27 | — | — | US | disclosed |
| US-7196079-B2 | Benzodiazepine CGRP receptor antagonists | MERCK & CO, INC. (US) | 2007-03-27 | — | — | US | disclosed |
| WO-2007016087-A2 | HETEROCYCLIC BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-02-08 | — | — | WO | 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 |
| US-20060148790-A1 | Benzodiazepine cgrp receptor antagonists | MERCK SHARP & DOHME LLC | 2006-07-06 | — | — | US | disclosed |
| WO-2006044504-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-04-27 | — | — | WO | disclosed |
| EP-1615914-A2 | CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2006-01-18 | — | — | EP | disclosed |
| WO-2004091514-A2 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2004-10-28 | — | — | 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 (2 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 | KDR 677/4885DRD2 664/4885HTR1A 230/4885 |
| US-20060148790-A1 | Benzodiazepine cgrp receptor antagonists | BDKRB1, CCKBR, BDKRB2 | KDR 994/4885DRD2 303/4885HTR1A 194/4885 |
“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.