Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | MLYCD | O95822 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | BRD4 | O60885 | 1/20 | 0.50 |
| ▸ | NAMPT | P43490 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.48 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | EP300 | Q09472 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4492779 | 0.89 | MAPK14 (0.57) | MEN1KMT2AMLYCDHDAC6NAMPT | |
| SCHEMBL3035306 | 0.86 | SMYD3 (0.56) | SMYD3MEN1KMT2AMLYCDHDAC6 | |
| SCHEMBL20615737 | 0.86 | CHRM1 (0.58) | SMYD3CHRM1CHRM2CHRM4CHRM3 | |
| SCHEMBL11248353 | 0.86 | MMP13 (0.63) | SMYD3MEN1KMT2AMLYCDHDAC6 | |
| SCHEMBL3330915 | 0.86 | SMN1; SMN2 (0.56) | SMYD3HDAC6BRD4NAMPTCHRM1 | |
| SCHEMBL8389571 | 0.84 | HDAC6 (0.68) | MEN1KMT2AMLYCDHDAC6CA2 | |
| SCHEMBL15662741 | 0.84 | EP300 (0.64) | SMYD3MLYCDHDAC6BRD4MAPK14 | |
| SCHEMBL3039617 | 0.83 | SMYD3 (0.53) | SMYD3MLYCDHDAC6NAMPTCA2 | |
| SCHEMBL24724241 | 0.82 | MEN1 (0.56) | SMYD3MEN1KMT2AHDAC6BRD4 | |
| SCHEMBL12089859 | 0.82 | SMYD3 (0.53) | SMYD3MEN1KMT2ABRD4MAPK14 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |
| EP-1390034-A4 | N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2005-07-13 | — | — | EP | disclosed |
| US-20040204341-A1 | Nr2b receptor antagonists for the treatment or prevention of migraines | ALLEN CHRISTOPHER (US) | 2004-10-14 | — | — | US | disclosed |
| EP-1399160-A4 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO INC (US) | 2004-08-25 | — | — | EP | disclosed |
| EP-1399160-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | Merck & Co., Inc. (US) | 2004-03-24 | — | — | EP | disclosed |
| EP-1390034-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2004-02-25 | — | — | EP | disclosed |
| US-20030119811-A1 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK SHARP & DOHME CORP. | 2003-06-26 | — | — | US | disclosed |
| WO-2002100352-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO., INC. (US) | 2002-12-19 | — | — | WO | disclosed |
| WO-2002080928-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2002-10-17 | — | — | 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-20040204341-A1 | Nr2b receptor antagonists for the treatment or prevention of migraines | HTR1B, HTR2B, HTR1A | SMYD3 3724/4885MEN1 1658/4885KMT2A 1079/4885 |
| US-20030119811-A1 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | GRIN1, GRIN2B, GRIN2A | SMYD3 3537/4885MEN1 3540/4885KMT2A 1148/4885 |
“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.