Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.52 |
| ▸ | MDM4 | O15151 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.45 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1639194 | 0.91 | KCNQ3 (0.46) | DGAT1MDM4TP53MDM2KDM4E | |
| SCHEMBL8168949 | 0.87 | DGAT1 (0.48) | DGAT1MDM4TP53MDM2KDM4E | |
| SCHEMBL8241591 | 0.85 | DGAT1 (0.53) | DGAT1MDM4TP53MDM2KDM4E | |
| SCHEMBL1639961 | 0.79 | DGAT1 (0.49) | DGAT1MDM4TP53MDM2KDM4E | |
| SCHEMBL654746 | 0.79 | MDM4 (0.72) | MDM4TP53MDM2KDM4EMAPT | |
| SCHEMBL4461178 | 0.78 | CACNA1B (0.53) | KDM4ELMNAMAPTALDH1A1HPGD | |
| SCHEMBL4458234 | 0.78 | KDM4E (0.50) | KDM4ELMNAMAPTALDH1A1HPGD | |
| SCHEMBL8169286 | 0.78 | KCNQ3 (0.42) | DGAT1MDM4TP53MDM2KDM4E | |
| SCHEMBL8232214 | 0.76 | MDM4 (0.40) | DGAT1MDM4TP53MDM2KDM4E | |
| SCHEMBL4760165 | 0.75 | DGAT1 (0.46) | DGAT1MDM4TP53MDM2LMNA |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130131041-A1 | SPIROCYCLIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2013-05-23 | — | — | US | disclosed |
| US-8349825-B2 | Spirocyclic compounds | MERCK SHARP & DOHME CORP. (US) | 2013-01-08 | — | — | US | disclosed |
| US-20110098268-A1 | SPIROCYCLIC COMPOUNDS | MERCK & CO., INC (US) | 2011-04-28 | — | — | US | disclosed |
| US-7834026-B2 | histone deacetylase inhibitors; antiproliferative; antineoplastic; thioredoxin (TRX)-mediated diseases such as autoimmune, allergy, inflammatory diseases; and neurodegenerative diseases; N-(2-Aminophenyl)-6-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)nicotinamide; hydroxamic acid moiety | MERCK SHARP & DOHME CORP. (US) | 2010-11-16 | — | — | US | disclosed |
| US-20090209566-A1 | Spirocyclic Compounds | MERCK SHARP & DOHME LLC | 2009-08-20 | — | — | US | disclosed |
| EP-1954698-B1 | SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS | MERCK & CO INC (US) | 2009-06-24 | — | — | EP | disclosed |
| US-7544695-B2 | Spirocyclic compounds | MERCK & CO., INC. (US) | 2009-06-09 | — | — | US | disclosed |
| CN-101312976-A | Spirocyclic compounds as hdac inhibitors | MERCK & CO INC (US) | 2008-11-26 | — | — | CN | disclosed |
| EP-1954698-A1 | SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS | Merck & Co., Inc. (US) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007061880-A1 | SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS | MERCK & CO., INC. (US) | 2007-05-31 | — | — | WO | disclosed |
| US-20070117824-A1 | Spirocyclic compounds | MERCK SHARP & DOHME LLC | 2007-05-24 | — | — | 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 (4 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-20110098268-A1 | SPIROCYCLIC COMPOUNDS | BRDT, TXNRD3, HDAC1 | DGAT1 3594/4885MDM4 4822/4885TP53 2253/4885 |
| US-20090209566-A1 | Spirocyclic Compounds | NR1H2, RORA, NR2E3 | DGAT1 2209/4885MDM4 4839/4885TP53 2572/4885 |
| US-20070117824-A1 | Spirocyclic compounds | BRDT, TXNRD3, HDAC1 | DGAT1 3594/4885MDM4 4822/4885TP53 2253/4885 |
| US-20130131041-A1 | SPIROCYCLIC COMPOUNDS | BRDT, TXNRD3, HDAC1 | DGAT1 3594/4885MDM4 4822/4885TP53 2253/4885 |
“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.