Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2R | P25116 | 20/20 | 0.62 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.59 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.59 |
| ▸ | GPR183 | P32249 | 1/20 | 0.59 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.59 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL13199850 | 1.00 | F2R (0.62) | F2RABCB11ADORA3CHRM1SLC6A2 | |
| SCHEMBL14203695 | 1.00 | F2R (0.62) | F2RABCB11ADORA3CHRM1SLC6A2 | |
| SCHEMBL13610978 | 0.91 | F2R (0.62) | F2RABCB11ADORA3CHRM1SLC6A2 | |
| SCHEMBL471191 | 0.90 | F2R (0.53) | F2RABCB11ADORA3CHRM1SLC6A2 | |
| SCHEMBL12213125 | 0.88 | F2R (0.58) | F2RABCB11ADORA3CHRM1SLC6A2 | |
| SCHEMBL14203708 | 0.88 | F2R (0.58) | F2RABCB11ADORA3CHRM1SLC6A2 | |
| SCHEMBL471183 | 0.86 | F2R (0.56) | F2RABCB11ADORA3CHRM1SLC6A2 | |
| SCHEMBL13199852 | 0.86 | F2R (0.56) | F2RABCB11ADORA3CHRM1SLC6A2 | |
| SCHEMBL13090681 | 0.86 | F2R (0.56) | F2RABCB11ADORA3CHRM1SLC6A2 | |
| SCHEMBL13603617 | 0.86 | F2R (0.58) | F2RABCB11ADORA3CHRM1SLC6A2 |
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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-2196454-B1 | EXO-AND DIASTEREO-SELECTIVE SYNTHESES OF HIMBACINE ANALOGS | MERCK SHARP & DOHME (US) | 2014-08-27 | — | — | EP | disclosed |
| EP-1846385-B1 | AN EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS | MERCK SHARP & DOHME (US) | 2013-07-31 | — | — | EP | disclosed |
| EP-2196468-B1 | Exo-and diastereo-selective syntheses of himbacine analogs | MERCK SHARP & DOHME (US) | 2013-04-10 | — | — | 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-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-8273790-B2 | Exo-selective synthesis of himbacine analogs | SCHERING CORPORATION (US) | 2012-09-25 | — | — | US | disclosed |
| US-8258319-B2 | Exo- and diastereo- selective synthesis of himbacine analogs | SCHERING CORPORATION (US) | 2012-09-04 | — | — | US | disclosed |
| US-20120142914-A1 | EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS | TOPROL ACQUISITION LLC | 2012-06-07 | — | — | US | disclosed |
| US-20090281321-A1 | EXO- AND DIASTEREO- SELECTIVE SYNTHESES OF HIMBACINE ANALOGS | SCHERING CORPORATION | 2009-11-12 | — | — | US | disclosed |
| US-7605275-B2 | Cyclization of 1-(1-(diphenylaminocarbonyl-vinyl-)ethyl-oxycarbonyl-vinyl-),5-nitro-)cyclohex-1-ene by heating in a solvent to form an trans-(5,6)ring junction and an endoisomer(cis) isomer of 3-(oxo),6-(nitro),9-diphenylamido-perhydro-4,4a-didehydronaphtho(2,3)furan | SCHERING CORPORATION (US) | 2009-10-20 | — | — | US | disclosed |
| US-20090203936-A1 | SYNTHESIS OF 3-(5-NITROCYCLOHEX-1-ENYL) ACRYLIC ACID AND ESTERS THEREOF | SCHERING CORPORATION | 2009-08-13 | — | — | US | disclosed |
| US-7553987-B2 | Synthesis of 3-(5-nitrocyclohex-1-enyl) acrylic acid and esters thereof | SCHERING CORPORATION (US) | 2009-06-30 | — | — | US | disclosed |
| US-7541471-B2 | Synthesis of himbacine analogs | SCHERING CORPORATION (US) | 2009-06-02 | — | — | US | disclosed |
| US-7541471-B2 | Synthesis of himbacine analogs | SCHERING CORPORATION (US) | 2009-06-02 | — | — | US | disclosed |
| US-20080009651-A1 | Synthesis of 3-(5-nitrocyclohex-1-enyl) acrylic acid and esters thereof | MERCK SHARP & DOHME CORP. | 2008-01-10 | — | — | US | disclosed |
| WO-2008005348-A1 | SYNTHESIS OF DIETHYL{ I5' (3 -FLUOROPHENYL) -PYRIDINE-2-YL] METHYL} PHOSPHONATE USED IN THE SYNTHESIS OF HIMBACINE ANALOGS | SCHERING CORPORATION (US) | 2008-01-10 | — | — | WO | disclosed |
| US-20080004449-A1 | Synthesis of diethyl{[5-(3-fluorophenyl)-pyridine-2yl]methyl}phosphonate | TOPROL ACQUISITION LLC | 2008-01-03 | — | — | US | disclosed |
| US-20080004449-A1 | Synthesis of diethyl{[5-(3-fluorophenyl)-pyridine-2yl]methyl}phosphonate | TOPROL ACQUISITION LLC | 2008-01-03 | — | — | 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 (7 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-20090203936-A1 | SYNTHESIS OF 3-(5-NITROCYCLOHEX-1-ENYL) ACRYLIC ACID AND ESTERS THEREOF | PPOX, PNPO, DAO | F2R 971/4885ABCB11 4124/4885ADORA3 1258/4885 |
| US-20080004449-A1 | Synthesis of diethyl{[5-(3-fluorophenyl)-pyridine-2yl]methyl}phosphonate | F2, F2R, PTAFR | F2R 2/4885ABCB11 3977/4885ADORA3 53/4885 |
| US-20080009651-A1 | Synthesis of 3-(5-nitrocyclohex-1-enyl) acrylic acid and esters thereof | PPOX, PNPO, DAO | F2R 971/4885ABCB11 4124/4885ADORA3 1258/4885 |
| US-20120296093-A1 | EXO- AND DIASTEREO- SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS | EDNRA, EDNRB, NMBR | F2R 30/4885ABCB11 2482/4885ADORA3 145/4885 |
| US-20120302745-A1 | EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS | CHKB, BDKRB1, EDNRB | F2R 70/4885ABCB11 3512/4885ADORA3 146/4885 |
| US-20090281321-A1 | EXO- AND DIASTEREO- SELECTIVE SYNTHESES OF HIMBACINE ANALOGS | EDNRA, EDNRB, NMBR | F2R 24/4885ABCB11 2458/4885ADORA3 166/4885 |
| US-20120142914-A1 | EXO-SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS | CHKB, BDKRB1, EDNRB | F2R 70/4885ABCB11 3512/4885ADORA3 146/4885 |
“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.