Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 2/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.31 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL980274 | 0.88 | CTSS (0.39) | AAK1SLC6A3KDM4ECTSSCTSK | |
| SCHEMBL17040319 | 0.82 | APLNR (0.38) | AAK1SLC6A3KDM4EAPLNRALDH1A1 | |
| SCHEMBL6343801 | 0.78 | AAK1 (0.36) | AAK1SLC6A3KDM4EAPLNRALDH1A1 | |
| SCHEMBL13099832 | 0.78 | KCNN4 (0.44) | GAANFKB1NFKB2RELACTSS | |
| SCHEMBL12077684 | 0.76 | DGAT1 (0.36) | DGAT1SLC6A3 | |
| SCHEMBL2947195 | 0.73 | CTSS (0.43) | CYP17A1GAACTSSCTSK | |
| SCHEMBL2947196 | 0.73 | CTSS (0.43) | CYP17A1GAACTSSCTSK | |
| SCHEMBL28860305 | 0.71 | CA12 (0.43) | CYP17A1RXFP1KCNQ4KCNQ5 | |
| SCHEMBL5969759 | 0.71 | HDAC3 (0.46) | AAK1ALDH1A1GAACTSSCTSK | |
| SCHEMBL10885417 | 0.71 | KCNN4 (0.46) | AAK1KDM4EALDH1A1CTSSCTSK |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2029575-B1 | SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2014-10-22 | — | — | EP | disclosed |
| US-8765759-B2 | Monocyclic CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-07-01 | — | — | US | disclosed |
| EP-2271346-B1 | MONOCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2014-01-01 | — | — | EP | disclosed |
| EP-2458991-A1 | RADIOLABELED CGRP ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2012-06-06 | — | — | EP | disclosed |
| US-20120121508-A1 | RADIOLABELED CGRP ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-05-17 | — | — | US | disclosed |
| US-20120121508-A1 | RADIOLABELED CGRP ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-05-17 | — | — | US | disclosed |
| US-7893079-B2 | Substituted monocyclic CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-02-22 | — | — | US | disclosed |
| WO-2011014383-A1 | RADIOLABELED CGRP ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-02-03 | — | — | WO | disclosed |
| WO-2011014383-A1 | RADIOLABELED CGRP ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-02-03 | — | — | WO | disclosed |
| US-20110021516-A1 | MONOCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP (US) | 2011-01-27 | — | — | US | disclosed |
| EP-2271346-A2 | MONOCYCLIC CGRP RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2011-01-12 | — | — | EP | disclosed |
| US-20100056498-A1 | SUBSTITUTED MONOCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2010-03-04 | — | — | US | disclosed |
| US-7629338-B2 | Substituted monocyclic CGRP receptor antagonists | MERCK & CO., INC. (US) | 2009-12-08 | — | — | US | disclosed |
| US-7625901-B2 | Substituted monocyclic CGRP receptor antagonists | MERCK & CO., INC. (US) | 2009-12-01 | — | — | US | disclosed |
| WO-2009120652-A2 | MONOCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2009-10-01 | — | — | WO | disclosed |
| US-20080318927-A1 | Substituted monocyclic CGRP receptor antagonists | MERCK SHARP & DOHME LLC | 2008-12-25 | — | — | US | disclosed |
| US-20070265225-A1 | Substituted monocyclic CGRP receptor antagonists | MERCK SHARP & DOHME LLC | 2007-11-15 | — | — | 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 (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-20110021516-A1 | MONOCYCLIC CGRP RECEPTOR ANTAGONISTS | CCKAR, CALCRL, CCKBR | AAK1 2740/4885DGAT1 4067/4885SLC6A3 1040/4885 |
| US-20100056498-A1 | SUBSTITUTED MONOCYCLIC CGRP RECEPTOR ANTAGONISTS | QRFPR, CALCRL, EDNRB | AAK1 2996/4885DGAT1 4421/4885SLC6A3 871/4885 |
| US-20120121508-A1 | RADIOLABELED CGRP ANTAGONISTS | CALCRL, CALCR, GRPR | AAK1 3577/4885DGAT1 1929/4885SLC6A3 330/4885 |
| US-20080318927-A1 | Substituted monocyclic CGRP receptor antagonists | EDNRB, CALCRL, QRFPR | AAK1 2807/4885DGAT1 4385/4885SLC6A3 1030/4885 |
| US-20070265225-A1 | Substituted monocyclic CGRP receptor antagonists | QRFPR, CALCRL, EDNRB | AAK1 2996/4885DGAT1 4421/4885SLC6A3 871/4885 |
“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.