Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 3/20 | 0.49 |
| ▸ | NOS3 | P29474 | 2/20 | 0.49 |
| ▸ | NOS2 | P35228 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | THPO | P40225 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | KMO | O15229 | 1/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31139539 | 1.00 | NOS1 (0.49) | NOS1NOS3NOS2LMNACYP1A2 | |
| SCHEMBL10732234 | 0.81 | CYP1A2 (0.52) | NOS1NOS3NOS2LMNACYP1A2 | |
| SCHEMBL13681634 | 0.81 | NOS1 (0.52) | NOS1NOS3NOS2LMNACYP1A2 | |
| SCHEMBL11301720 | 0.79 | NOS1 (0.50) | NOS1NOS3NOS2LMNACYP1A2 | |
| SCHEMBL17261393 | 0.78 | NOS1 (0.49) | NOS1NOS3NOS2LMNACYP1A2 | |
| SCHEMBL17221547 | 0.77 | NOS1 (0.45) | NOS1NOS3NOS2LMNACYP1A2 | |
| SCHEMBL11043657 | 0.76 | KMO (0.34) | NOS1NOS3NOS2LMNACYP1A2 | |
| SCHEMBL11041906 | 0.76 | KMO (0.34) | NOS1NOS3NOS2LMNACYP1A2 | |
| SCHEMBL5732582 | 0.75 | POLB (0.38) | NOS1NOS3NOS2LMNACYP1A2 | |
| SCHEMBL17221451 | 0.75 | NOS1 (0.46) | NOS1NOS3NOS2LMNACYP1A2 |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1954135-B1 | SPIROLACTAM ARYL CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2012-10-10 | — | — | EP | disclosed |
| US-8101619-B2 | Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition | SOLVAY PHARMACEUTICALS B.V. (NL) | 2012-01-24 | — | — | US | disclosed |
| US-8101619-B2 | Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition | SOLVAY PHARMACEUTICALS B.V. (NL) | 2012-01-24 | — | — | US | disclosed |
| US-8071770-B2 | Spirohydantoin aryl CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-12-06 | — | — | US | disclosed |
| US-8071770-B2 | Spirohydantoin aryl CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-12-06 | — | — | US | disclosed |
| EP-1951251-B1 | SPIROHYDANTOIN ARYL CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2010-12-29 | — | — | EP | disclosed |
| US-7851464-B2 | Spirolactam aryl CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2010-12-14 | — | — | US | disclosed |
| US-7851464-B2 | Spirolactam aryl CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2010-12-14 | — | — | US | disclosed |
| US-20090247514-A1 | Spirolactam aryl cgrp receptor antagonists | MERCK SHARP & DOHME LLC | 2009-10-01 | — | — | US | disclosed |
| US-20090247514-A1 | Spirolactam aryl cgrp receptor antagonists | MERCK SHARP & DOHME LLC | 2009-10-01 | — | — | US | disclosed |
| US-20090239870-A1 | Spirohydantoin Aryl Cgrp Receptor Antagonists | MERCK SHARP & DOHME LLC | 2009-09-24 | — | — | US | disclosed |
| US-20070142397-A2 | PHENYPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION | SOLVAY PHARMECEUTICALS B.V. (NL) | 2007-06-21 | — | — | US | disclosed |
| US-20070142397-A2 | PHENYPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION | SOLVAY PHARMECEUTICALS B.V. (NL) | 2007-06-21 | — | — | US | disclosed |
| WO-2007061677-A2 | SPIROLACTAM ARYL CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-05-31 | — | — | WO | disclosed |
| WO-2007061676-A2 | SPIROHYDANTOIN ARYL CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-05-31 | — | — | WO | disclosed |
| US-20070072870-A2 | PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION | SOLVAY PHARMECEUTICALS B.V. (NL) | 2007-03-29 | — | — | US | disclosed |
| US-20070072870-A2 | PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION | SOLVAY PHARMECEUTICALS B.V. (NL) | 2007-03-29 | — | — | US | disclosed |
| WO-2006061379-A1 | PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION | SOLVAY PHARMACEUTICALS B.V. (NL) | 2006-06-15 | — | — | WO | disclosed |
| US-20060122189-A1 | Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition | SOLVAY PHARMACEUTICALS B.V. | 2006-06-08 | — | — | US | disclosed |
| US-20060122189-A1 | Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition | SOLVAY PHARMACEUTICALS B.V. | 2006-06-08 | — | — | 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 (5 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-20070072870-A2 | PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION | HTR2C, HTR2A, HTR5A | NOS1 559/4885NOS3 611/4885NOS2 396/4885 |
| US-20060122189-A1 | Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition | HTR2C, HTR2A, HTR5A | NOS1 559/4885NOS3 611/4885NOS2 396/4885 |
| US-20090239870-A1 | Spirohydantoin Aryl Cgrp Receptor Antagonists | BDKRB1, BDKRB2, CALCRL | NOS1 3052/4885NOS3 2135/4885NOS2 3540/4885 |
| US-20070142397-A2 | PHENYPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION | HTR2C, HTR2A, HTR5A | NOS1 2148/4885NOS3 1857/4885NOS2 1122/4885 |
| US-20090247514-A1 | Spirolactam aryl cgrp receptor antagonists | CALCRL, BDKRB1, CALCR | NOS1 2923/4885NOS3 2056/4885NOS2 3322/4885 |
“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.