Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | BPTF | Q12830 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.39 |
| ▸ | SCN4A | P35499 | 2/20 | 0.38 |
| ▸ | HRH2 | P25021 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESRRG | P62508 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4694987 | 0.81 | GRIN2B (0.51) | CYP2D6HRH3GRIN2B | |
| SCHEMBL3282848 | 0.81 | GRIN2B (0.51) | CYP2D6HRH3GRIN2B | |
| SCHEMBL3275813 | 0.80 | CYP2D6 (0.44) | CYP2D6BPTFCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL4692842 | 0.78 | GBA1 (0.43) | CYP2D6CCR5 | |
| SCHEMBL3270165 | 0.76 | CYP2D6 (0.43) | CYP2D6BPTFCCR5 | |
| SCHEMBL4692783 | 0.76 | CCR5 (0.60) | CCR5 | |
| SCHEMBL4690721 | 0.76 | CCR5 (0.45) | CCR5 | |
| SCHEMBL28316666 | 0.75 | ALDH1A1 (0.54) | KCNA3 | |
| SCHEMBL9796769 | 0.75 | ALDH1A1 (0.54) | KCNA3 | |
| SCHEMBL4694458 | 0.75 | CCR5 (0.53) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 |
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-7714018-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2010-05-11 | — | — | US | disclosed |
| EP-1987036-A1 | HETERO-BYCYCLIC ANTIVIRAL COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-11-05 | — | — | EP | disclosed |
| EP-1987035-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-11-05 | — | — | EP | disclosed |
| EP-1761542-B1 | OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | HOFFMANN LA ROCHE (CH) | 2008-01-02 | — | — | EP | disclosed |
| WO-2007093520-A1 | HETERO-BYCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-08-23 | — | — | WO | disclosed |
| WO-2007093515-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN LA-ROCHE AG (CH) | 2007-08-23 | — | — | WO | disclosed |
| US-20070191406-A1 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC | 2007-08-16 | — | — | US | disclosed |
| US-20070191335-A1 | 4-{2-[5-(4,6-Dimethyl-pyrimidine-5-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-ethyl}-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester,chemokine receptor antagonist; human immunodeficiency virus (HIV) infection, AIDS or ARC, antiinflammatory agent, autoimmune diseases, graft v. host disease | ROCHE PALO ALTO LLC | 2007-08-16 | — | — | US | disclosed |
| US-20070117859-A1 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC | 2007-05-24 | — | — | US | disclosed |
| US-7164019-B2 | Such as cyclopentanecarboxylic acid {(S)-1-phenyl-3-[5-(pyridine-3-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-propyl}-amide; antagonists of chemokine receptors, useful for treating/preventing human immunodeficiency virus infection, AIDS or ARC | ROCHE PALO ALTO LLC (US) | 2007-01-16 | — | — | US | disclosed |
| US-20060014767-A1 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC | 2006-01-19 | — | — | 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-20070191335-A1 | 4-{2-[5-(4,6-Dimethyl-pyrimidine-5-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-ethyl}-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester,chemokine receptor antagonist; human immunodeficiency virus (HIV) infection, AIDS or ARC, antiinflammatory agent, autoimmune diseases, graft v. host disease | CCR5, CXCR1, CXCR3 | CYP2D6 1967/4885BPTF 3839/4885CHRNB2 1983/4885 |
| US-20070191406-A1 | Heterocyclic antiviral compounds | CCR5, CX3CR1, CXCR1 | CYP2D6 1545/4885BPTF 3393/4885CHRNB2 1704/4885 |
| US-20060014767-A1 | Heterocyclic antiviral compounds | CCR5, ACKR3, CXCR1 | CYP2D6 1736/4885BPTF 3443/4885CHRNB2 2902/4885 |
| US-20070117859-A1 | Heterocyclic antiviral compounds | CCR5, ACKR3, CXCR1 | CYP2D6 1736/4885BPTF 3443/4885CHRNB2 2902/4885 |
“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.