Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.30 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19838077 | 0.91 | — | — | |
| SCHEMBL4307112 | 0.85 | CYP1A2 (0.30) | CYP1A2 | |
| SCHEMBL29792095 | 0.83 | TSHR (0.35) | CYP1A2CHRNB2CHRNA3CHRNA4 | |
| SCHEMBL18035056 | 0.79 | — | — | |
| SCHEMBL12503208 | 0.78 | CYP1A2 (0.35) | CYP1A2HRH3 | |
| SCHEMBL2336591 | 0.76 | CYP2C9 (0.46) | — | |
| SCHEMBL19839240 | 0.75 | — | — | |
| SCHEMBL25286794 | 0.74 | — | — | |
| SCHEMBL4874228 | 0.74 | — | — | |
| SCHEMBL23850070 | 0.74 | ACACB (0.33) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240246920-A1 | TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY | KING'S COLLEGE LONDON (GB) | 2024-07-25 | — | — | US | disclosed |
| US-20130131041-A1 | SPIROCYCLIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2013-05-23 | — | — | US | disclosed |
| EP-2590953-A1 | TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS | Convergence Pharmaceuticals Limited (GB) | 2013-05-15 | — | — | EP | disclosed |
| EP-2356101-B1 | PYRIMIDINE- AND TRIAZINE-SULFONAMIDE DERIVATIVES AS BRADYKININ B1 RECEPTOR (B1R) INHIBITORS FOR THE TREATMENT OF PAIN | GRUENENTHAL GMBH (DE) | 2013-02-27 | — | — | EP | disclosed |
| US-8349825-B2 | Spirocyclic compounds | MERCK SHARP & DOHME CORP. (US) | 2013-01-08 | — | — | US | disclosed |
| US-8269000-B2 | Substituted pyrimidine and triazine compounds | GRUENENTHAL GMBH (DE) | 2012-09-18 | — | — | US | disclosed |
| WO-2012004604-A1 | TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS | Convergence Pharmaceuticals Limited (GB) | 2012-01-12 | — | — | WO | disclosed |
| US-20110098268-A1 | SPIROCYCLIC COMPOUNDS | MERCK & CO., INC (US) | 2011-04-28 | — | — | US | disclosed |
| US-20100173889-A1 | Substituted Pyrimidine and Triazine Compounds | GRUENENTHAL GMBH (DE) | 2010-07-08 | — | — | 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 |
| 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 (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-20110098268-A1 | SPIROCYCLIC COMPOUNDS | BRDT, TXNRD3, HDAC1 | CYP1A2 3103/4885HRH3 929/4885CHRNB2 1490/4885 |
| US-20240246920-A1 | TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY | RIF1, NAT1, POLR1C | CYP1A2 11/4885HRH3 680/4885CHRNB2 4813/4885 |
| US-20100173889-A1 | Substituted Pyrimidine and Triazine Compounds | ADORA2B, CCNB1, TYMS | CYP1A2 1085/4885HRH3 247/4885CHRNB2 3117/4885 |
| US-20070117824-A1 | Spirocyclic compounds | BRDT, TXNRD3, HDAC1 | CYP1A2 3103/4885HRH3 929/4885CHRNB2 1490/4885 |
| US-20130131041-A1 | SPIROCYCLIC COMPOUNDS | BRDT, TXNRD3, HDAC1 | CYP1A2 3103/4885HRH3 929/4885CHRNB2 1490/4885 |
“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.