Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 18/20 | 0.54 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | FPR1 | P21462 | 1/20 | 0.53 |
| ▸ | TACR3 | P29371 | 1/20 | 0.53 |
| ▸ | GPR183 | P32249 | 1/20 | 0.53 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.53 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.53 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28415289 | 1.00 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL28409436 | 1.00 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL264332 | 1.00 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL271095 | 1.00 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL14900670 | 1.00 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL271421 | 1.00 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL5220886 | 1.00 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL265353 | 1.00 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL12991595 | 1.00 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL5222778 | 1.00 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111004190-A | Preparation method of aprepitant intermediate | 广州曼翔医药有限公司 | 2020-04-14 | — | — | CN | claimed |
| US-6432953-B1 | — | — | None | — | — | US | disclosed |
| CN-114478631-A | Preparation of fosaprepitant dimeglumine | 江苏慧聚药业股份有限公司 | 2022-05-13 | — | — | CN | disclosed |
| CN-114478631-A | Preparation of fosaprepitant dimeglumine | 江苏慧聚药业股份有限公司 | 2022-05-13 | — | — | CN | disclosed |
| CN-114213355-A | Production process of aprepitant key intermediate | 苏州诚和医药化学有限公司 | 2022-03-22 | — | — | CN | disclosed |
| CN-111303066-A | Preparation method of aprepitant impurity | 江苏海悦康医药科技有限公司 | 2020-06-19 | — | — | CN | disclosed |
| CN-111303066-A | Preparation method of aprepitant impurity | 江苏海悦康医药科技有限公司 | 2020-06-19 | — | — | CN | disclosed |
| CN-111004190-A | Preparation method of aprepitant intermediate | 广州曼翔医药有限公司 | 2020-04-14 | — | — | CN | disclosed |
| CN-111004190-A | Preparation method of aprepitant intermediate | 广州曼翔医药有限公司 | 2020-04-14 | — | — | CN | disclosed |
| US-8080656-B2 | Process for the preparation of aprepitant | RANBAXY LABORATORIES LIMITED (IN) | 2011-12-20 | — | — | US | disclosed |
| US-6638930-B2 | Antiinflammatory agents, analgesics, antiasthmatics, antiemitics and calcium channel blockers for angina, hypertension or ischemia | MERCK & CO. INC. | 2003-10-28 | — | — | US | disclosed |
| US-6583142-B2 | 2-(R)-(1-(R)-(3,5- bis(trifluoromethyl)phenyl)ethoxy)-3-(S)-(4-fluoro)phenyl-4-(3-(5-oxo-1H,4H -1,2,4-triazolo) methyl morpholine; antagonizing effect of substance P at its receptor site, blockade of neurokinin-1 receptors | MERCK & CO. | 2003-06-24 | — | — | US | disclosed |
| US-20030027825-A1 | Polymorphic form of a tachykinin receptor antagonist | MERCK & CO. INC. | 2003-02-06 | — | — | US | disclosed |
| US-6432953-B2 | 2-(R)-(1-(R)-(3,5-BIS(TRIFLUOROMETHYL)-PHENYL)ETHOXY)-3-(S)-(4 -FLUORO) PHENYL-4-(3-(5-OXO-1H,4H-1,2,4-TRIAZOLO)METHYLMORPHOLINE; TREATING NEUROPATHY, EMESIS, NERVOUS SYSTEM DISORDERS; THERMODYNAMIC STABILITY FOR DRUGS | MERCK & CO., INC. | 2002-08-13 | — | — | US | disclosed |
| US-20020002164-A1 | Morpholine and thiomorpholine tachykinin receptor antagonists | MERCK & CO., INC. | 2002-01-03 | — | — | US | disclosed |
| US-20010041702-A1 | Polymorphic form of a tachykinin receptor antagonist | MERCK & CO., INC. | 2001-11-15 | — | — | US | disclosed |
| US-6235735-B1 | AFTERTREATMENT OF RADIATION THERAPY | MERCK & CO., INC. | 2001-05-22 | — | — | US | disclosed |
| US-6229010-B1 | RECOVERING FORM I OF 2-(R)-(1-(R)-(3,5-BIS(TRIFLUOROMETHYL) -PHENYL)ETHOXY)-3-(S)-(4-FLUORO)PHENYL-4-(3-(5-OXO-1H,4H-1,2,4 -TRIAZOLO)METHYLMORPHOLINE FROM FORM II EQUILIBRATED IN ETHANOL, ISOPROPANOL, ACETONITRILE OR ISOPROPYL ACETATE | MERCK & CO., INC. | 2001-05-08 | — | — | US | disclosed |
| US-6096742-A | Polymorphic form of a tachykinin receptor antagonist | MERCK & CO., INC. (US) | 2000-08-01 | — | — | US | disclosed |
| US-6048859-A | ANTIEMETIC AGENT | MERCK & CO., INC. (US) | 2000-04-11 | — | — | 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-20020002164-A1 | Morpholine and thiomorpholine tachykinin receptor antagonists | TRPM7, TRPM2, TRPM5 | TACR1 23/4885NR3C1 794/4885CYP3A4 1196/4885 |
| US-20010041702-A1 | Polymorphic form of a tachykinin receptor antagonist | OPRL1, MC3R, OPRK1 | TACR1 40/4885NR3C1 434/4885CYP3A4 773/4885 |
| US-20030027825-A1 | Polymorphic form of a tachykinin receptor antagonist | OPRL1, MC3R, MC5R | TACR1 40/4885NR3C1 436/4885CYP3A4 775/4885 |
“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.