Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | NOS2 | P35228 | 3/20 | 0.48 |
| ▸ | NOS1 | P29475 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MPI | P34949 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4564976 | 0.89 | SLC6A15 (0.44) | CYP2C19NOS2NOS1MEN1KMT2A | |
| SCHEMBL1285381 | 0.88 | SMN1; SMN2 (0.54) | CYP2C19MEN1KMT2ASMN1; SMN2FAAH | |
| SCHEMBL27267490 | 0.86 | POLB (0.55) | MEN1KMT2A | |
| SCHEMBL4762750 | 0.84 | ALDH1A1 (0.43) | CYP2C19ALDH1A1KCNH2SMN1; SMN2 | |
| SCHEMBL3063074 | 0.84 | RPLP1 (0.38) | CYP2C19MEN1KMT2AALDH1A1KCNH2 | |
| SCHEMBL13790234 | 0.84 | NOS2 (0.46) | CYP2C19NOS2NOS1MEN1KMT2A | |
| SCHEMBL30006974 | 0.79 | POLB (0.49) | MEN1KMT2AL3MBTL1ALDH1A1HTT | |
| SCHEMBL30006056 | 0.78 | CHRM3 (0.53) | MEN1KMT2ACHRM2 | |
| SCHEMBL27092754 | 0.78 | CHRM3 (0.53) | MEN1KMT2ACHRM2 | |
| SCHEMBL19873844 | 0.77 | OPRD1 (0.43) | ALDH1A1 |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090176986-A1 | Process for the Preparation of Pyridine Heterocycle Cgrp Antagonist Intermediate | MERCK SHARP & DOHME CORP. | 2009-07-09 | — | — | US | claimed |
| EP-2007763-A2 | PROCESS FOR THE PREPARATION OF PYRIDINE HETEROCYCLE CGRP ANTAGONIST INTERMEDIATE | Merck & Co., Inc. (US) | 2008-12-31 | — | — | EP | claimed |
| WO-2007120590-A2 | PROCESS FOR THE PREPARATION OF PYRIDINE HETEROCYCLE CGRP ANTAGONIST INTERMEDIATE | MERCK & CO., INC. (US) | 2007-10-25 | — | — | WO | claimed |
| CN-107428744-B | Novel heterocyclic compounds and their use in medicine and cosmetics | 盖尔德马研究及发展公司 | 2021-09-24 | — | — | CN | disclosed |
| US-20100286122-A1 | CGRP Antagonist Salt | MERCK SHARP & DOHME CORP. | 2010-11-11 | — | — | US | disclosed |
| US-20100286122-A1 | CGRP Antagonist Salt | MERCK SHARP & DOHME CORP. | 2010-11-11 | — | — | US | disclosed |
| US-7829699-B2 | Process for the preparation of CGRP antagonist | MERCK SHARP & DOHME CORP. (US) | 2010-11-09 | — | — | US | disclosed |
| US-7829699-B2 | Process for the preparation of CGRP antagonist | MERCK SHARP & DOHME CORP. (US) | 2010-11-09 | — | — | US | disclosed |
| US-7718796-B2 | Process for the preparation of caprolactam CGRP antagonist | MERCK SHARP & DOHME CORP. (US) | 2010-05-18 | — | — | US | disclosed |
| US-7718796-B2 | Process for the preparation of caprolactam CGRP antagonist | MERCK SHARP & DOHME CORP. (US) | 2010-05-18 | — | — | US | disclosed |
| US-7718796-B2 | Process for the preparation of caprolactam CGRP antagonist | MERCK SHARP & DOHME CORP. (US) | 2010-05-18 | — | — | US | disclosed |
| US-20090124799-A1 | Process for the preparation of Caprolactam Cgrp Antagonist | MERCK SHARP & DOHME CORP. | 2009-05-14 | — | — | US | disclosed |
| EP-2007395-A1 | CGRP ANTAGONIST SALT | Merck & Co., Inc. (US) | 2008-12-31 | — | — | EP | disclosed |
| EP-2007731-A2 | PROCESS FOR THE PREPARATION OF CAPROLACTAM CGRP ANTAGONIST INTERMEDIATE | Merck & Co., Inc. (US) | 2008-12-31 | — | — | EP | disclosed |
| EP-2007764-A1 | PROCESS FOR THE PREPARATION OF CGRP ANTAGONIST | Merck & Co., Inc. (US) | 2008-12-31 | — | — | EP | disclosed |
| EP-2007763-A2 | PROCESS FOR THE PREPARATION OF PYRIDINE HETEROCYCLE CGRP ANTAGONIST INTERMEDIATE | Merck & Co., Inc. (US) | 2008-12-31 | — | — | EP | disclosed |
| WO-2007120589-A2 | PROCESS FOR THE PREPARATION OF CAPROLACTAM CGRP ANTAGONIST INTERMEDIATE | MERCK & CO., INC. (US) | 2007-10-25 | — | — | WO | disclosed |
| WO-2007120590-A2 | PROCESS FOR THE PREPARATION OF PYRIDINE HETEROCYCLE CGRP ANTAGONIST INTERMEDIATE | MERCK & CO., INC. (US) | 2007-10-25 | — | — | WO | disclosed |
| WO-2007120591-A1 | PROCESS FOR THE PREPARATION OF CGRP ANTAGONIST | MERCK & CO., INC. (US) | 2007-10-25 | — | — | WO | disclosed |
| WO-2007120592-A1 | CGRP ANTAGONIST SALT | MERCK & CO., INC. (US) | 2007-10-25 | — | — | 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 (3 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-20090176986-A1 | Process for the Preparation of Pyridine Heterocycle Cgrp Antagonist Intermediate | CCKBR, CALCRL, CALCR | CYP2C19 723/4885NOS2 1245/4885NOS1 1282/4885 |
| US-20100286122-A1 | CGRP Antagonist Salt | KCNJ2, KCNN3, KCNH2 | CYP2C19 2910/4885NOS2 2821/4885NOS1 2266/4885 |
| US-20090124799-A1 | Process for the preparation of Caprolactam Cgrp Antagonist | CALCRL, CALCR, CALCA | CYP2C19 915/4885NOS2 2729/4885NOS1 2319/4885 |
“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.