Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.52 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.49 |
| ▸ | CNR2 | P34972 | 2/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.46 |
| ▸ | CRHBP | P24387 | 1/20 | 0.45 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.44 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5189401 | 0.88 | TSHR (0.57) | PTPN1NR3C1CNR2CYP2C19NR1H2 | |
| SCHEMBL4142849 | 0.84 | TDP1 (0.42) | PTPN1KEAP1NFE2L2 | |
| SCHEMBL28565303 | 0.83 | CYP2C19 (0.71) | NR3C1CNR2CNR1CYP2C19CRHBP | |
| SCHEMBL10906279 | 0.83 | NR3C1 (0.49) | PTPN1NR3C1CNR2CYP2C19NR1H2 | |
| SCHEMBL8001528 | 0.80 | EGFR (0.44) | PTPN1CNR2CNR1KMT2AMEN1 | |
| SCHEMBL4282268 | 0.80 | ALDH1A1 (0.44) | PTPN1NR3C1CRHBPCRHR2KMT2A | |
| SCHEMBL1932004 | 0.80 | NR1H4 (0.55) | NR3C1CYP2C19NR1H2NR1H3KMT2A | |
| SCHEMBL6560868 | 0.80 | NR3C1 (0.56) | NR3C1CNR2CNR1RAB9AKEAP1 | |
| SCHEMBL9512802 | 0.78 | NR3C1 (0.48) | PTPN1NR3C1CNR2CYP2C19NR1H2 | |
| SCHEMBL10833174 | 0.78 | TSPO (0.57) | NR3C1CYP2C19SLC6A2SLC6A3KEAP1 |
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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009001203-A2 | AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT | ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) | 2008-12-31 | — | — | WO | claimed |
| US-8133994-B2 | Preparation of aprepitant | DR. REDDY'S LABORATORIES LTD. (IN) | 2012-03-13 | — | — | US | disclosed |
| US-20110094321-A1 | PREPARATION OF APREPITANT | DR. REDDY'S LABORATORIES LIMITED (IN) | 2011-04-28 | — | — | US | disclosed |
| WO-2010092591-A2 | NOVEL CRYSTALLINE POLYMORPHS OF 5-[[(2R,3S)-2-[(1R)-1-[3,5- BIS(TRIFLUOROMETHYL) PHENYL] ETHOXY]-3-(4-FLUOROPHENYL)-4-MORPHOLINYL]METHYL]-1,2- DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE AND PROCESS FOR PREPARATION THEREOF | USV LIMITED (IN) | 2010-08-19 | — | — | WO | disclosed |
| WO-2009001203-A3 | AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT | ORCHID CHEMICALS & PHARM LTD (IN) | 2009-02-26 | — | — | WO | disclosed |
| WO-2009001203-A2 | AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT | ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) | 2008-12-31 | — | — | WO | disclosed |
| WO-2009001203-A2 | AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT | ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) | 2008-12-31 | — | — | WO | disclosed |
| EP-1942734-A2 | PREPARATION OF APREPITANT | Dr. Reddy's Laboratories Ltd. (IN) | 2008-07-16 | — | — | EP | disclosed |
| EP-1462450-B1 | Substituted morpholine derivatives and their use as therapeutic agents | MERCK SHARP & DOHME (GB) | 2007-06-13 | — | — | EP | disclosed |
| WO-2007044829-A2 | PREPARATION OF APREPITANT | DR. REDDY'S LABORATORIES LTD. (IN) | 2007-04-19 | — | — | WO | disclosed |
| EP-0799056-A1 | USE OF A TACHYKININ ANTAGONIST AND AN OPIOID ANALGESIC | MERCK SHARP & DOHME LTD. (GB) | 1997-10-08 | — | — | EP | disclosed |
| EP-0777659-A1 | MORPHOLINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 1997-06-11 | — | — | EP | disclosed |
| US-5612337-A | ANALGESIC COMPOUNDS FOR PRODRUGS | MERCK SHARP & DOHME LIMITED (GB) | 1997-03-18 | — | — | US | disclosed |
| US-5610159-A | N-oxides of morpholine derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LIMITED (GB) | 1997-03-11 | — | — | US | disclosed |
| EP-0758329-A1 | MORPHOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF TACHIKININS | MERCK SHARP & DOHME LTD. (GB) | 1997-02-19 | — | — | EP | disclosed |
| WO-1997002824-A1 | USE OF A TACHYKININ ANTAGONIST AND A MUSCARINIC ANTAGONIST AND/OR AN ANTIHISTAMINE TO TREAT MOTION SICKNESS | MERCK SHARP & DOHME LIMITED (GB) | 1997-01-30 | — | — | WO | disclosed |
| WO-1996029328-A1 | MORPHOLINE DERIVATIVES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1996-09-26 | — | — | WO | disclosed |
| WO-1996020009-A1 | USE OF A TACHYKININ ANTAGONIST AND AN OPIOID ANALGESIC | MERCK SHARP & DOHME LIMITED (GB) | 1996-07-04 | — | — | WO | disclosed |
| WO-1996005181-A1 | MORPHOLINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1996-02-22 | — | — | WO | disclosed |
| WO-1995030674-A1 | MORPHOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF TACHIKININS | MERCK SHARP & DOHME LIMITED (GB) | 1995-11-16 | — | — | WO | 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 (1 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-20110094321-A1 | PREPARATION OF APREPITANT | KIT, CPA3, CMA1 | PTPN1 4084/4885NR3C1 969/4885CNR2 349/4885 |
“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.