Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.40 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3823350 | 1.00 | ALDH1A1 (0.42) | ALDH1A1DDB1CRBNKDM4ERAB9A | |
| SCHEMBL5762197 | 0.83 | XIAP (0.47) | ALDH1A1KDM4E | |
| SCHEMBL5762909 | 0.83 | XIAP (0.47) | ALDH1A1KDM4E | |
| SCHEMBL5762906 | 0.78 | KDM1A (0.49) | USP2 | |
| SCHEMBL5554408 | 0.78 | CALCRL (0.51) | ALDH1A1KDM4ECALCRL | |
| SCHEMBL1435407 | 0.78 | CALCRL (0.51) | ALDH1A1KDM4ECALCRL | |
| SCHEMBL2893178 | 0.78 | CALCRL (0.51) | ALDH1A1KDM4ECALCRL | |
| SCHEMBL8541616 | 0.75 | CA2 (0.39) | DDB1CRBN | |
| SCHEMBL22469876 | 0.73 | CCR2 (0.40) | ALDH1A1RAB9A | |
| SCHEMBL22469272 | 0.73 | CCR2 (0.40) | ALDH1A1RAB9A |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1765805-B1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2013-11-20 | — | — | EP | disclosed |
| EP-1615914-B1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2010-05-05 | — | — | EP | disclosed |
| EP-1765805-A4 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-08-26 | — | — | EP | disclosed |
| US-7491713-B2 | CGRP receptor antagonists | MERCK + CO., INC. (US) | 2009-02-17 | — | — | US | disclosed |
| EP-1615914-A4 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2008-03-12 | — | — | EP | disclosed |
| US-20070287696-A1 | Cgrp Receptor Antagonists | MERCK SHARP & DOHME LLC | 2007-12-13 | — | — | 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 |
| EP-1765805-A2 | CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-03-28 | — | — | EP | disclosed |
| US-20060194783-A1 | Cgrp receptor antagonists | MERCK SHARP & DOHME LLC | 2006-08-31 | — | — | US | disclosed |
| WO-2005072308-A9 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2006-02-02 | — | — | WO | disclosed |
| EP-1615914-A2 | CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2006-01-18 | — | — | EP | disclosed |
| WO-2005072308-A2 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2005-08-11 | — | — | WO | 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 | ALDH1A1 3052/4885DDB1 2589/4885CRBN 2818/4885 |
| US-20070287696-A1 | Cgrp Receptor Antagonists | BDKRB1, BDKRB2, CCKBR | ALDH1A1 2654/4885DDB1 1440/4885CRBN 3217/4885 |
“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.