Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8158333 | 0.90 | NPSR1 (0.40) | NPSR1NPC1DRD2DRD4HTR1A | |
| SCHEMBL15663744 | 0.84 | DRD2 (0.40) | NPSR1NPC1DRD2DRD4HTR1A | |
| SCHEMBL4781902 | 0.82 | NPSR1 (0.60) | NPSR1NPC1DRD2DRD4CA12 | |
| SCHEMBL13306274 | 0.82 | — | — | |
| SCHEMBL13136190 | 0.82 | NPSR1 (0.42) | NPSR1NPC1DRD2DRD4CA12 | |
| SCHEMBL25106399 | 0.81 | NPSR1 (0.41) | NPSR1NPC1DRD2DRD4CA12 | |
| SCHEMBL31011765 | 0.81 | NPC1 (0.44) | NPSR1NPC1DRD2DRD4CA12 | |
| SCHEMBL24015515 | 0.80 | NPC1 (0.41) | NPSR1NPC1DRD2DRD4HTR1A | |
| SCHEMBL15686282 | 0.79 | DRD2 (0.58) | DRD2TDP1 | |
| SCHEMBL84810 | 0.79 | NPC1 (0.61) | NPSR1NPC1CA12CA1CA2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7807704-B2 | Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 | CHEMOCENTRYX, INC. (US) | 2010-10-05 | — | — | US | disclosed |
| EP-2097374-B1 | 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AS SELECTIVE LIGANDS OF V2 VASOPRESSIN RECEPTORS | SANOFI AVENTIS (FR) | 2010-06-09 | — | — | EP | disclosed |
| US-20100069384-A1 | 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY | SANOFI-AVENTIS (FR) | 2010-03-18 | — | — | US | disclosed |
| US-20100069384-A1 | 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY | SANOFI-AVENTIS (FR) | 2010-03-18 | — | — | US | disclosed |
| US-7671069-B2 | Tricyclic, heteroaromatic compounds modulating CXCR4 and/ or CXCR7 | CHEMOCENTRYX, INC. (US) | 2010-03-02 | — | — | US | disclosed |
| US-7465726-B2 | Substituted pyrrolo[2.3-B]pyridines | OSI PHARMACEUTICALS, INC. (US) | 2008-12-16 | — | — | US | disclosed |
| US-7465726-B2 | Substituted pyrrolo[2.3-B]pyridines | OSI PHARMACEUTICALS, INC. (US) | 2008-12-16 | — | — | US | disclosed |
| WO-2008087278-A2 | 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AS SELECTIVE LIGANDS OF V2 VASOPRESSIN RECEPTORS | SANOFI-AVENTIS (FR) | 2008-07-24 | — | — | WO | disclosed |
| US-20070275965-A1 | CXCR4 modulators | CHEMOCENTRYX, INC. (US) | 2007-11-29 | — | — | US | disclosed |
| WO-2007067537-A1 | PYRROLOPYRIDINE KINASE INHIBITING COMPOUNDS | OSI PHARMACEUTICALS, INC. (US) | 2007-06-14 | — | — | WO | disclosed |
| US-20070129364-A1 | Pyrrolopyridine kinase inhibiting compounds | OSI PHARMACEUTICALS, INC. | 2007-06-07 | — | — | US | disclosed |
| US-20070129364-A1 | Pyrrolopyridine kinase inhibiting compounds | OSI PHARMACEUTICALS, INC. | 2007-06-07 | — | — | 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 (3 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-20070275965-A1 | CXCR4 modulators | CXCL12, CXCR4, CXCR1 | NPSR1 2297/4885NPC1 334/4885DRD2 2234/4885 |
| US-20100069384-A1 | 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY | AVPR2, AVPR1A, AVPR1B | NPSR1 21/4885NPC1 3122/4885DRD2 158/4885 |
| US-20070129364-A1 | Pyrrolopyridine kinase inhibiting compounds | BMX, ERBB2, FRK | NPSR1 2719/4885NPC1 4182/4885DRD2 3314/4885 |
“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.