Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 7/20 | 0.36 |
| ▸ | HTR1A | P08908 | 3/20 | 0.35 |
| ▸ | HTR7 | P34969 | 3/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.35 |
| ▸ | HTR3B | O95264 | 4/20 | 0.35 |
| ▸ | HTR3A | P46098 | 4/20 | 0.35 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.35 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | HTR6 | P50406 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3285858 | 0.81 | ADRB1 (0.40) | ADRB1HTR1AHTR7HTR3EHTR3B | |
| SCHEMBL3290253 | 0.67 | DRD2 (0.52) | HTR1AHTR7DRD2HTR2ADRD3 | |
| SCHEMBL6208852 | 0.66 | DRD3 (0.48) | HTR3ADRD2HTR2AHTTMAPT | |
| SCHEMBL6416173 | 0.64 | ADRB1 (0.55) | ADRB1HTR1AHTR7HTR3EHTR3B | |
| SCHEMBL3285852 | 0.63 | DRD2 (0.72) | ADRB1HTR1AHTR7HTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL20139467 | 0.63 | ADRB1 (0.53) | ADRB1HTR1AHTR7HTR3EHTR3B | |
| SCHEMBL14016240 | 0.62 | DRD2 (0.52) | ADRB1HTR1AHTR7HTR3EHTR3B | |
| SCHEMBL11300149 | 0.62 | ADRB1 (0.52) | ADRB1HTR1AHTR7HTR3EHTR3B | |
| SCHEMBL478208 | 0.62 | ADRB1 (0.57) | ADRB1HTR1AHTR7HTR3EHTR3B | |
| SCHEMBL17884641 | 0.62 | ADRB1 (0.62) | ADRB1HTR1AHTR7HTR3EHTR3B |
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-7713956-B2 | Dealkylated derivatives of pyrrolo[2,1-b]benzothiazepines with atypical antipsychotic activity | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2010-05-11 | — | — | US | claimed |
| EP-1745054-B1 | DEALKYLATED DERIVATIVES OF PYRROLO(2,1-B)BENZOTHIAZEPINES WITH ATYPICAL ANTIPSYCHOTIC ACTIVITY | SIGMA TAU IND FARMACEUTI (IT) | 2008-11-19 | — | — | EP | claimed |
| US-7713956-B2 | Dealkylated derivatives of pyrrolo[2,1-b]benzothiazepines with atypical antipsychotic activity | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2010-05-11 | — | — | US | disclosed |
| EP-1745054-B1 | DEALKYLATED DERIVATIVES OF PYRROLO(2,1-B)BENZOTHIAZEPINES WITH ATYPICAL ANTIPSYCHOTIC ACTIVITY | SIGMA TAU IND FARMACEUTI (IT) | 2008-11-19 | — | — | EP | disclosed |
| US-20070270402-A1 | Dealkylated Derivatives of Pyrrolo[2,1-B]Benzothiazepines with Atypical Antipsy-Chotic Activity | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2007-11-22 | — | — | US | disclosed |
| EP-1745054-A2 | DEALKYLATED DERIVATIVES OF PYRROLO(2,1-B)BENZOTHIAZEPINES WITH ATYPICAL ANTIPSYCHOTIC ACTIVITY | SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) | 2007-01-24 | — | — | EP | disclosed |
| WO-2005108403-A2 | DEALKYLATED DERIVATIVES OF PYRROLO[2,1-B]BENZOTHIAZEPINES WITH ATYPICAL ANTIPSYCHOTIC ACTIVITY | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2005-11-17 | — | — | 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 (1 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-20070270402-A1 | Dealkylated Derivatives of Pyrrolo[2,1-B]Benzothiazepines with Atypical Antipsy-Chotic Activity | CNR1, HRH4, CNR2 | ADRB1 943/4885HTR1A 36/4885HTR7 184/4885 |
“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.