Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30414006 | 0.86 | CYP3A4 (0.68) | CYP3A4NPC1MAPTMAPK1RAB9A | |
| SCHEMBL25351591 | 0.86 | CYP3A4 (0.75) | CYP3A4NPC1MAPTMAPK1RAB9A | |
| SCHEMBL4950024 | 0.86 | CYP3A4 (0.68) | CYP3A4NPC1MAPTMAPK1RAB9A | |
| SCHEMBL29510426 | 0.81 | CYP3A4 (1.00) | CYP3A4NPC1MAPTMAPK1RAB9A | |
| SCHEMBL746125 | 0.81 | CYP3A4 (0.74) | CYP3A4NPC1MAPTMAPK1RAB9A | |
| SCHEMBL20959 | 0.81 | CYP3A4 (1.00) | CYP3A4NPC1MAPTMAPK1RAB9A | |
| SCHEMBL30839096 | 0.81 | CYP3A4 (0.74) | CYP3A4NPC1MAPTMAPK1RAB9A | |
| SCHEMBL3074915 | 0.80 | CYP3A4 (0.43) | CYP3A4NPC1MAPTMAPK1RAB9A | |
| Methane SCHEMBL4169772 | 0.79 | CYP3A4 (0.95) | CYP3A4NPC1MAPTMAPK1RAB9A | |
| SCHEMBL3334778 | 0.77 | CYP3A4 (0.68) | CYP3A4NPC1MAPTMAPK1RAB9A |
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-20150196544-A1 | NOVEL BENZO[d][1,3]-DIOXOL DERIVATIVES | CONCERT PHARMACEUTICALS, INC. | 2015-07-16 | — | — | US | disclosed |
| US-20140018390-A1 | DEUTERATED BENZO[D][1,3]-DIOXOL DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2014-01-16 | — | — | US | disclosed |
| US-8450492-B2 | Deuterated benzo[D][1,3]-dioxol derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2013-05-28 | — | — | US | disclosed |
| EP-1910322-B1 | NOVEL DEUTERATED BENZO [D][1,3]-DIOXOL DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS | CONCERT PHARMACEUTICALS INC (US) | 2012-09-05 | — | — | EP | disclosed |
| US-20100222589-A1 | DEUTERATED BENZO[D][1,3]-DIOXOL DERIVATIVES | CONCERT PHARMACEUTICALS INC. | 2010-09-02 | — | — | US | disclosed |
| US-7678914-B2 | Deuterated benzo[D][1,3]-dioxol derivatives | CONCERT PHARMACEUTICALS INC. (US) | 2010-03-16 | — | — | US | disclosed |
| US-20080287495-A1 | Novel benzo[d][1,3]-dioxol derivatives | CONCERT PHARMACEUTICALS INC. | 2008-11-20 | — | — | US | disclosed |
| EP-1910322-A2 | NOVEL BENZO [D][1,3]-DIOXOL DERIVATIVES | Concert Pharmaceuticals Inc. (US) | 2008-04-16 | — | — | EP | disclosed |
| US-20080033011-A1 | NOVEL BENZO[D][1,3]-DIOXOL DERIVATIVES | CONCERT PHARMACEUTICALS INC. (US) | 2008-02-07 | — | — | US | disclosed |
| US-20070191432-A1 | Novel benzo[D][1,3]-dioxol derivatives | CONCERT PHARMACEUTICALS INC. (US) | 2007-08-16 | — | — | US | disclosed |
| WO-2007016431-A2 | NOVEL BENZO [D] [1,3]-DIOXOL DERIVATIVES | CONCERT PHARMACEUTICALS INC. (US) | 2007-02-08 | — | — | 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 (6 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-20080033011-A1 | NOVEL BENZO[D][1,3]-DIOXOL DERIVATIVES | TPH1, TPH2, HTR5A | CYP3A4 153/4885NPC1 1509/4885MAPT 1222/4885 |
| US-20140018390-A1 | DEUTERATED BENZO[D][1,3]-DIOXOL DERIVATIVES | TPH1, HTR1D, DRD1 | CYP3A4 337/4885NPC1 871/4885MAPT 906/4885 |
| US-20100222589-A1 | DEUTERATED BENZO[D][1,3]-DIOXOL DERIVATIVES | TPH1, HTR1D, DRD1 | CYP3A4 337/4885NPC1 871/4885MAPT 906/4885 |
| US-20080287495-A1 | Novel benzo[d][1,3]-dioxol derivatives | TPH1, HTR1D, HTR1A | CYP3A4 269/4885NPC1 929/4885MAPT 1006/4885 |
| US-20070191432-A1 | Novel benzo[D][1,3]-dioxol derivatives | TPH1, HTR1D, HTR1A | CYP3A4 269/4885NPC1 929/4885MAPT 1006/4885 |
| US-20150196544-A1 | NOVEL BENZO[d][1,3]-DIOXOL DERIVATIVES | TPH1, HTR1D, HTR1A | CYP3A4 269/4885NPC1 929/4885MAPT 1006/4885 |
“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.