Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TDP2 | O95551 | 2/20 | 0.43 |
| ▸ | CRBN | Q96SW2 | 3/20 | 0.43 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.41 |
| ▸ | PDE5A | O76074 | 2/20 | 0.41 |
| ▸ | PDE1A | P54750 | 2/20 | 0.41 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.41 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.41 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12698577 | 1.00 | CALCRL (0.44) | CALCRLALDH1A1TDP2CRBNDDB1 | |
| SCHEMBL14536525 | 0.90 | ALDH1A1 (0.47) | CALCRLALDH1A1TDP2CRBNDDB1 | |
| SCHEMBL4957736 | 0.90 | ALDH1A1 (0.47) | CALCRLALDH1A1TDP2CRBNDDB1 | |
| SCHEMBL1714998 | 0.90 | ALDH1A1 (0.47) | CALCRLALDH1A1TDP2CRBNDDB1 | |
| SCHEMBL12660698 | 0.87 | CALCRL (0.45) | CALCRLTDP2CRBNDDB1PDE5A | |
| SCHEMBL14614757 | 0.87 | CALCRL (0.47) | CALCRLCRBNDDB1MAPT | |
| SCHEMBL12622666 | 0.83 | CALCRL (0.43) | CALCRLCRBNDDB1 | |
| SCHEMBL12655217 | 0.83 | CALCRL (0.45) | CALCRLALDH1A1CRBNDDB1MAPT | |
| SCHEMBL16659358 | 0.82 | ALDH1A1 (0.53) | CALCRLALDH1A1TDP2CRBNDDB1 | |
| SCHEMBL13055192 | 0.78 | CALCRL (0.44) | CALCRLALDH1A1PDE7APDE3AMAPT |
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 28 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 |
| WO-2012129014-A1 | PIPERIDINE CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-09-27 | — | — | WO | disclosed |
| WO-2011070283-A8 | METHOD AND APPARATUS FOR COOLING AND/OR DEEP-FREEZING MATERIALS IMPLEMENTING THE INJECTION OF TWO CRYOGENIC LIQUIDS | L'Air Liquide, Société Anonyme pour l'Etude et l'Exploitation des Procédés Georges Claude (FR) | 2012-05-10 | — | — | WO | disclosed |
| EP-1613368-B1 | CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2011-11-30 | — | — | EP | disclosed |
| EP-1613368-B1 | CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2011-11-30 | — | — | EP | 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-7947678-B2 | Heterocyclic benzodiazepine CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-05-24 | — | — | US | disclosed |
| EP-1606286-B1 | BENODIAZEPINE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2011-05-11 | — | — | EP | disclosed |
| US-20070111982-A1 | Calcitonin Gene-Related Peptide, CGRP; treatment of migraine and cluster headache; 2,5-dioxo-3',4'-dihydro-spiro(imidazolidine-4,2'(1'H)-naphthalene)-6'-carboxamides | MERCK SHARP & DOHME LLC | 2007-05-17 | — | — | US | disclosed |
| US-20070111982-A1 | Calcitonin Gene-Related Peptide, CGRP; treatment of migraine and cluster headache; 2,5-dioxo-3',4'-dihydro-spiro(imidazolidine-4,2'(1'H)-naphthalene)-6'-carboxamides | MERCK SHARP & DOHME LLC | 2007-05-17 | — | — | US | disclosed |
| US-20070111982-A1 | Calcitonin Gene-Related Peptide, CGRP; treatment of migraine and cluster headache; 2,5-dioxo-3',4'-dihydro-spiro(imidazolidine-4,2'(1'H)-naphthalene)-6'-carboxamides | MERCK SHARP & DOHME LLC | 2007-05-17 | — | — | US | disclosed |
| US-7205293-B2 | Benodiazepine spirohydantoin CGRP receptor antagonists | MERCK & CO., INC. (US) | 2007-04-17 | — | — | US | disclosed |
| US-7205293-B2 | Benodiazepine spirohydantoin CGRP receptor antagonists | MERCK & CO., INC. (US) | 2007-04-17 | — | — | US | disclosed |
| US-7205293-B2 | Benodiazepine spirohydantoin CGRP receptor antagonists | 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 |
| US-20060189600-A1 | Benodiazepine spirohydantoin cgrp receptor antagonists | MERCK SHARP & DOHME LLC | 2006-08-24 | — | — | US | disclosed |
| EP-1606286-A2 | BENODIAZEPINE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2005-12-21 | — | — | EP | disclosed |
| WO-2004087649-A2 | BENODIAZEPINE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2004-10-14 | — | — | 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-20060189600-A1 | Benodiazepine spirohydantoin cgrp receptor antagonists | BDKRB2, BDKRB1, CNR2 | CALCRL 7/4885ALDH1A1 1317/4885TDP2 2954/4885 |
| US-20070111982-A1 | Calcitonin Gene-Related Peptide, CGRP; treatment of migraine and cluster headache; 2,5-dioxo-3',4'-dihydro-spiro(imidazolidine-4,2'(1'H)-naphthalene)-6'-carboxamides | CALCA, CALCRL, CALCB | CALCRL 2/4885ALDH1A1 2496/4885TDP2 2582/4885 |
“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.