Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.78 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.78 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.78 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.78 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.78 |
| ▸ | SLC18A2 | Q05940 | 7/20 | 0.71 |
| ▸ | HTR2A | P28223 | 2/20 | 0.71 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.65 |
| ▸ | DRD2 | P14416 | 1/20 | 0.65 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.65 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.65 |
| ▸ | HTR2C | P28335 | 1/20 | 0.65 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.65 |
| ▸ | DRD3 | P35462 | 1/20 | 0.65 |
| ▸ | HTR2B | P41595 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL23118013 | 0.93 | HTR1A (0.79) | HTR1ATBXA2RPTGS1OPRM1KCNH2 | |
| SCHEMBL10018923 | 0.92 | HTR1A (0.78) | HTR1ATBXA2RPTGS1OPRM1KCNH2 | |
| SCHEMBL10018919 | 0.92 | HTR1A (0.78) | HTR1ATBXA2RPTGS1OPRM1KCNH2 | |
| SCHEMBL23117968 | 0.91 | HTR1A (0.77) | HTR1ATBXA2RPTGS1OPRM1KCNH2 | |
| SCHEMBL23142670 | 0.90 | HTR1A (0.75) | HTR1ATBXA2RPTGS1OPRM1KCNH2 | |
| SCHEMBL23117998 | 0.90 | HTR1A (0.75) | HTR1ATBXA2RPTGS1OPRM1KCNH2 | |
| SCHEMBL22579521 | 0.90 | HTR1A (0.75) | HTR1ATBXA2RPTGS1OPRM1KCNH2 | |
| SCHEMBL23117987 | 0.90 | HTR1A (0.75) | HTR1ATBXA2RPTGS1OPRM1KCNH2 | |
| SCHEMBL23118004 | 0.90 | HTR1A (0.75) | HTR1ATBXA2RPTGS1OPRM1KCNH2 | |
| SCHEMBL23119609 | 0.89 | HTR1A (0.86) | HTR1ATBXA2RPTGS1OPRM1KCNH2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8357697-B2 | Substituted 3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-A]isoquinolin-2-ol compounds and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2013-01-22 | — | — | US | disclosed |
| US-8357697-B2 | Substituted 3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-A]isoquinolin-2-ol compounds and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2013-01-22 | — | — | US | disclosed |
| US-20120077839-A1 | SUBSTITUTED 3-ISOBUTYL-9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLIN-2-OL COMPOUNDS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES, INC. (US) | 2012-03-29 | — | — | US | disclosed |
| US-20120077839-A1 | SUBSTITUTED 3-ISOBUTYL-9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLIN-2-OL COMPOUNDS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES, INC. (US) | 2012-03-29 | — | — | US | disclosed |
| US-8039627-B2 | Substituted 3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-A]isoquinolin-2-ol compounds and methods relating thereto | NEUROCRINE BIOSCIENCES, INC. (US) | 2011-10-18 | — | — | US | disclosed |
| US-20080167337-A1 | SUBSTITUTED 3-ISOBUTYL-9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLIN-2-OL COMPOUNDS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES, INC. | 2008-07-10 | — | — | US | disclosed |
| WO-2008058261-A1 | SUBSTITUTED 3-ISOBUTYL-9, 10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO[2,1-A] ISOQUINOLIN-2-OL COMPOUNDS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES, INC. (US) | 2008-05-15 | — | — | 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-20080167337-A1 | SUBSTITUTED 3-ISOBUTYL-9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLIN-2-OL COMPOUNDS AND METHODS RELATING THERETO | SLC18A2, SLC6A2, SLC18A3 | HTR1A 85/4885TBXA2R 569/4885PTGS1 2424/4885 |
| US-20120077839-A1 | SUBSTITUTED 3-ISOBUTYL-9,10-DIMETHOXY-1,3,4,6,7,11B-HEXAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLIN-2-OL COMPOUNDS AND METHODS RELATING THERETO | SLC18A2, SLC6A2, SLC18A3 | HTR1A 85/4885TBXA2R 569/4885PTGS1 2424/4885 |
“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.