Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.43 |
| ▸ | HTR2C | P28335 | 3/20 | 0.43 |
| ▸ | HTR2B | P41595 | 3/20 | 0.43 |
| ▸ | GRM1 | Q13255 | 4/20 | 0.38 |
| ▸ | PARP1 | P09874 | 2/20 | 0.36 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL803068 | 0.84 | CYP2D6 (0.42) | HTR2AHTR2CHTR2BNSD2ADRA2A | |
| SCHEMBL803075 | 0.81 | HTR2C (0.43) | HTR2AHTR2CHTR2BPARP1AADAT | |
| SCHEMBL803653 | 0.80 | HTR2C (0.36) | HTR2CHTR2BPARP1AADAT | |
| SCHEMBL15869323 | 0.80 | PARP1 (0.36) | HTR2AHTR2CHTR2BPARP1AADAT | |
| SCHEMBL803656 | 0.78 | HTR2C (0.47) | HTR2AHTR2CHTR2BPARP1AADAT | |
| SCHEMBL14996503 | 0.77 | PARP1 (0.57) | HTR2AHTR2CHTR2BGRM1PARP1 | |
| SCHEMBL22151642 | 0.76 | HTR2C (0.47) | HTR2AHTR2CHTR2BPARP1 | |
| SCHEMBL19329772 | 0.74 | PIK3CG (0.32) | PDE5A | |
| SCHEMBL30173026 | 0.74 | HTR2A (0.42) | HTR2AHTR2CHTR2BGRM1PARP1 | |
| SCHEMBL20325595 | 0.74 | HTR2A (0.42) | HTR2AHTR2CHTR2BGRM1PARP1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8680159-B2 | Bradykinin 1 receptor modulating compounds | GRUENENTHAL GMBH (DE) | 2014-03-25 | — | — | US | disclosed |
| US-20130231327-A1 | Substituted Spiro-Amide Compounds | GRUENENTHAL GMBH (DE) | 2013-09-05 | — | — | US | disclosed |
| US-8492559-B2 | Substituted indole compounds | GRUENENTHAL GMBH (DE) | 2013-07-23 | — | — | US | disclosed |
| US-8455475-B2 | Substituted spiro-amide compounds | GRUENENTHAL GMBH (DE) | 2013-06-04 | — | — | US | disclosed |
| US-8232288-B2 | Substituted benzimidazoles, benzothiazoles and benzoxazoles | GRUENENTHAL GMBH (DE) | 2012-07-31 | — | — | US | disclosed |
| US-8232288-B2 | Substituted benzimidazoles, benzothiazoles and benzoxazoles | GRUENENTHAL GMBH (DE) | 2012-07-31 | — | — | US | disclosed |
| US-20120071461-A1 | Substituted Benzamide Compounds | GRUENENTHAL GMBH (DE) | 2012-03-22 | — | — | US | disclosed |
| US-20120071461-A1 | Substituted Benzamide Compounds | GRUENENTHAL GMBH (DE) | 2012-03-22 | — | — | US | disclosed |
| US-20110009382-A1 | Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles | GRUENENTHAL GMBH (DE) | 2011-01-13 | — | — | US | disclosed |
| US-20110009382-A1 | Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles | GRUENENTHAL GMBH (DE) | 2011-01-13 | — | — | US | disclosed |
| US-20100249095-A1 | Substituted Spiro-amide Compounds | GRUENENTHAL GMBH (DE) | 2010-09-30 | — | — | US | disclosed |
| US-20100249095-A1 | Substituted Spiro-amide Compounds | GRUENENTHAL GMBH (DE) | 2010-09-30 | — | — | US | disclosed |
| US-20100222324-A1 | Substituted Indole Compounds | GRUENENTHAL GMBH (DE) | 2010-09-02 | — | — | US | disclosed |
| US-20070032475-A1 | Novel compounds useful for bradykinin B1 receptor antagonism | ELAN PHARMACEUTICALS, INC. | 2007-02-08 | — | — | 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 (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-20130231327-A1 | Substituted Spiro-Amide Compounds | BDKRB1, BDKRB2, REN | HTR2A 1059/4885HTR2C 1903/4885HTR2B 1426/4885 |
| US-20100222324-A1 | Substituted Indole Compounds | BDKRB1, BDKRB2, EDNRB | HTR2A 85/4885HTR2C 221/4885HTR2B 38/4885 |
| US-20110009382-A1 | Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles | BDKRB1, BDKRB2, BRD1 | HTR2A 713/4885HTR2C 433/4885HTR2B 299/4885 |
| US-20100249095-A1 | Substituted Spiro-amide Compounds | BDKRB1, BDKRB2, REN | HTR2A 1059/4885HTR2C 1903/4885HTR2B 1426/4885 |
| US-20070032475-A1 | Novel compounds useful for bradykinin B1 receptor antagonism | BDKRB1, BDKRB2, NPBWR1 | HTR2A 742/4885HTR2C 1740/4885HTR2B 175/4885 |
| US-20120071461-A1 | Substituted Benzamide Compounds | BDKRB1, BDKRB2, HRH2 | HTR2A 475/4885HTR2C 549/4885HTR2B 88/4885 |
“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.