Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.57 |
| ▸ | TSHR | P16473 | 5/20 | 0.57 |
| ▸ | USP2 | O75604 | 7/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | TACR1 | P25103 | 6/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5553228 | 0.88 | CYP3A4 (0.48) | CYP3A4TSHRUSP2HSD17B10TACR1 | |
| SCHEMBL5557173 | 0.87 | CYP3A4 (0.58) | CYP3A4TSHRUSP2HSD17B10TACR1 | |
| SCHEMBL5556983 | 0.85 | CYP3A4 (0.55) | CYP3A4TSHRUSP2HSD17B10TACR1 | |
| SCHEMBL5556657 | 0.84 | CYP3A4 (0.54) | CYP3A4TSHRUSP2HSD17B10TACR1 | |
| SCHEMBL5559690 | 0.82 | CYP3A4 (0.52) | CYP3A4TSHRUSP2HSD17B10TACR1 | |
| SCHEMBL5553130 | 0.79 | CYP3A4 (0.64) | CYP3A4TSHRUSP2HSD17B10TACR1 | |
| SCHEMBL5557471 | 0.78 | CYP3A4 (0.59) | CYP3A4TSHRUSP2HSD17B10TACR1 | |
| SCHEMBL5553288 | 0.78 | CYP3A4 (0.55) | CYP3A4TSHRUSP2HSD17B10TACR1 | |
| SCHEMBL5553371 | 0.78 | CYP3A4 (0.61) | CYP3A4TSHRUSP2HSD17B10CYP2C9 | |
| SCHEMBL5553400 | 0.77 | CYP3A4 (0.48) | CYP3A4TSHRUSP2HSD17B10TACR1 |
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-6482829-B2 | CENTRAL NERVOUS SYSTEM DISORDERS; HEEADACHES, ANTIINFLAMMATORY AGENTS | HOFFMANN-LA ROCHE INC. | 2002-11-19 | — | — | US | claimed |
| EP-1292596-B1 | 1,3,8-TRIAZA-SPIRO¬4,5 DECAN-4-ONE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2007-12-19 | — | — | EP | disclosed |
| EP-1678177-B1 | TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS | HOFFMANN LA ROCHE (CH) | 2007-11-28 | — | — | EP | disclosed |
| US-7189850-B2 | E.g., 1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one; activation of N-methylaspartic acid receptors via Glycine (Gly t-1) inhibition; psychoses; analgesics; neurodegenerative and psychological disorders; schizophrenia; cognition activators; antidepressants; Alzheimer's disease | HOFFMANN-LA ROCHE INC. (US) | 2007-03-13 | — | — | US | disclosed |
| EP-1678177-A1 | TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-07-12 | — | — | EP | disclosed |
| US-20050107373-A1 | E.g., 1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one; activation of N-methylaspartic acid receptors via Glycine (Gly t-1) inhibition; psychoses; analgesics; neurodegenerative and psychological disorders; schizophrenia; cognition activators; antidepressants; Alzheimer's disease | F. HOFFMANN-LA ROCHE AG (CH) | 2005-05-19 | — | — | US | disclosed |
| WO-2005040166-A1 | TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS | F.HOFFMANN-LA ROCHE AG (CH) | 2005-05-06 | — | — | WO | disclosed |
| EP-1292596-A1 | 1,3,8-TRIAZA-SPIRO[4,5]DECAN-4-ONE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-03-19 | — | — | EP | disclosed |
| US-6482829-B2 | CENTRAL NERVOUS SYSTEM DISORDERS; HEEADACHES, ANTIINFLAMMATORY AGENTS | HOFFMANN-LA ROCHE INC. | 2002-11-19 | — | — | US | disclosed |
| US-20020006932-A1 | Substituted heterocyclic siprodecane compound active as an antagonist of neurokinin 1 receptor | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-17 | — | — | US | disclosed |
| WO-2001094346-A1 | 1,3,8-TRIAZA-SPIRO'4,5!DECAN-4-ONE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-12-13 | — | — | 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-20020006932-A1 | Substituted heterocyclic siprodecane compound active as an antagonist of neurokinin 1 receptor | TACR1, TACR2, NPR1 | CYP3A4 3223/4885TSHR 232/4885USP2 3849/4885 |
| US-20050107373-A1 | E.g., 1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one; activation of N-methylaspartic acid receptors via Glycine (Gly t-1) inhibition; psychoses; analgesics; neurodegenerative and psychological disorders; schizophrenia; cognition activators; antidepressants; Alzheimer's disease | GRIN1, GRIN2A, GRM1 | CYP3A4 3314/4885TSHR 862/4885USP2 4578/4885 |
“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.