Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.37 |
| ▸ | CDK9 | P50750 | 2/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | TRPM8 | Q7Z2W7 | 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 | |
|---|---|---|---|---|
| SCHEMBL8466706 | 0.87 | GRIN2B (0.39) | GRIN2BCCNT1CDK9JAK2JAK3 | |
| SCHEMBL3721445 | 0.86 | MAPT (0.45) | GRM5GRIN2BTAAR1CCNT1CDK9 | |
| SCHEMBL3722784 | 0.85 | F2R (0.43) | GRIN2B | |
| SCHEMBL3728507 | 0.85 | NPSR1 (0.38) | SRCCCNT1CDK9 | |
| SCHEMBL16499027 | 0.80 | SRC (0.46) | SRCTAAR1EGLN1CYP17A1CYP3A4 | |
| SCHEMBL13324771 | 0.80 | HIF1A (0.44) | GRM5GRIN2BJAK2JAK3MAPT | |
| SCHEMBL27731128 | 0.80 | SRC (0.42) | SRCPDGFRBPDGFRAEGLN1MAP4K4 | |
| SCHEMBL12083955 | 0.77 | TAAR1 (0.47) | GRM5SRCGRIN2BPDGFRBPDGFRA | |
| SCHEMBL1177528 | 0.76 | MMP1 (0.39) | SRCGRIN2BPDGFRBPDGFRAJAK2 | |
| SCHEMBL12820612 | 0.75 | GRIN2B (0.44) | GRIN2B |
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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1863778-B1 | SPIROCYCLIC THROMBIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2015-12-30 | — | — | EP | disclosed |
| EP-2046804-B1 | Synthesis of diethyl{[5-(3-fluorophenyl)-pyridine-2-yl]methyl} phosphonate used in the synthesis of himbacine analogs | MERCK SHARP & DOHME (US) | 2015-07-15 | — | — | EP | disclosed |
| EP-2046804-B1 | Synthesis of diethyl{[5-(3-fluorophenyl)-pyridine-2-yl]methyl} phosphonate used in the synthesis of himbacine analogs | MERCK SHARP & DOHME (US) | 2015-07-15 | — | — | EP | disclosed |
| EP-1966203-B1 | OXAZOLOISOQUINOLINE DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2013-11-13 | — | — | EP | disclosed |
| US-8329905-B2 | Synthesis of diethyl{[5-(3-fluorophenyl)-pyridine-2yl]methyl}phosphonate | MERCK SHARP & DOHME CORP. (US) | 2012-12-11 | — | — | US | disclosed |
| US-8329905-B2 | Synthesis of diethyl{[5-(3-fluorophenyl)-pyridine-2yl]methyl}phosphonate | MERCK SHARP & DOHME CORP. (US) | 2012-12-11 | — | — | US | disclosed |
| US-8329905-B2 | Synthesis of diethyl{[5-(3-fluorophenyl)-pyridine-2yl]methyl}phosphonate | MERCK SHARP & DOHME CORP. (US) | 2012-12-11 | — | — | US | disclosed |
| US-8329905-B2 | Synthesis of diethyl{[5-(3-fluorophenyl)-pyridine-2yl]methyl}phosphonate | MERCK SHARP & DOHME CORP. (US) | 2012-12-11 | — | — | US | disclosed |
| US-20120302745-A1 | EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS | THIRUVENGADAM TIRUVETTIPURAM K (US) | 2012-11-29 | — | — | US | disclosed |
| US-20120296093-A1 | EXO- AND DIASTEREO- SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS | TOPROL ACQUISITION LLC | 2012-11-22 | — | — | US | disclosed |
| US-20080004449-A1 | Synthesis of diethyl{[5-(3-fluorophenyl)-pyridine-2yl]methyl}phosphonate | TOPROL ACQUISITION LLC | 2008-01-03 | — | — | US | disclosed |
| US-20070232635-A1 | Monocyclic and bicyclic himbacine derivatives useful as thrombin receptor antagonists | MERCK SHARP & DOHME LLC | 2007-10-04 | — | — | US | disclosed |
| EP-1294714-B1 | THROMBIN RECEPTOR ANTAGONISTS | SCHERING CORP (US) | 2007-08-01 | — | — | EP | disclosed |
| WO-2007075809-A2 | OXAZOLOISOQUINOLINE DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS | SCHERING CORPORATION (US) | 2007-07-05 | — | — | WO | disclosed |
| US-20070149518-A1 | Oxazoloisoquinoline derivatives as thrombin receptor antagonists | MERCK SHARP & DOHME LLC | 2007-06-28 | — | — | US | disclosed |
| US-20070149518-A1 | Oxazoloisoquinoline derivatives as thrombin receptor antagonists | MERCK SHARP & DOHME LLC | 2007-06-28 | — | — | US | disclosed |
| US-20070149518-A1 | Oxazoloisoquinoline derivatives as thrombin receptor antagonists | MERCK SHARP & DOHME LLC | 2007-06-28 | — | — | US | disclosed |
| EP-1764366-A2 | Thrombin receptor antagonists | SCHERING CORPORATION (US) | 2007-03-21 | — | — | EP | disclosed |
| US-20040152736-A1 | Thrombin receptor antagonists | TOPROL ACQUISITION LLC | 2004-08-05 | — | — | US | disclosed |
| US-20040152736-A1 | Thrombin receptor antagonists | TOPROL ACQUISITION LLC | 2004-08-05 | — | — | 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-20080004449-A1 | Synthesis of diethyl{[5-(3-fluorophenyl)-pyridine-2yl]methyl}phosphonate | F2, F2R, PTAFR | GRM5 1260/4885SRC 2129/4885GRIN2B 760/4885 |
| US-20040152736-A1 | Thrombin receptor antagonists | CNR1, TBXA2R, CNR2 | GRM5 863/4885SRC 661/4885GRIN2B 982/4885 |
| US-20120296093-A1 | EXO- AND DIASTEREO- SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS | EDNRA, EDNRB, NMBR | GRM5 277/4885SRC 3508/4885GRIN2B 471/4885 |
| US-20070232635-A1 | Monocyclic and bicyclic himbacine derivatives useful as thrombin receptor antagonists | BDKRB1, BDKRB2, HRH4 | GRM5 661/4885SRC 1936/4885GRIN2B 207/4885 |
| US-20070149518-A1 | Oxazoloisoquinoline derivatives as thrombin receptor antagonists | TBXA2R, NR0B2, BDKRB2 | GRM5 443/4885SRC 549/4885GRIN2B 114/4885 |
| US-20120302745-A1 | EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS | CHKB, BDKRB1, EDNRB | GRM5 518/4885SRC 3138/4885GRIN2B 372/4885 |
“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.