Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.43 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | MEP1B | Q16820 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5224347 | 0.86 | CNR2 (0.51) | CNR2ALDH1A1RAB9AMAPTCYP3A4 | |
| SCHEMBL4427598 | 0.86 | CNR2 (0.51) | CNR2ALDH1A1RAB9AMAPTCYP3A4 | |
| SCHEMBL5223574 | 0.81 | MEN1 (0.70) | CNR2ALDH1A1RAB9AMAPTCYP3A4 | |
| SCHEMBL16664378 | 0.80 | ALDH1A1 (0.50) | ALDH1A1RAB9ACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2485602 | 0.80 | ALDH1A1 (0.50) | ALDH1A1RAB9ACYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL5224712 | 0.80 | MEN1 (0.68) | CNR2ALDH1A1RAB9AMAPTCYP3A4 | |
| Hydrochloric Acid SCHEMBL2484892 | 0.79 | ALDH1A1 (0.49) | ALDH1A1RAB9ACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4848539 | 0.75 | CTSA (0.49) | CNR2ALDH1A1RAB9AMAPTCYP3A4 | |
| SCHEMBL4848544 | 0.75 | CTSA (0.49) | CNR2ALDH1A1RAB9AMAPTCYP3A4 | |
| SCHEMBL4856270 | 0.75 | CTSA (0.49) | CNR2ALDH1A1RAB9AMAPTCYP3A4 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6432953-B1 | — | — | None | — | — | US | disclosed |
| EP-0994867-B1 | POLYMORPHIC FORM OF THE TACHYKININ RECEPTOR ANTAGONIST 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 | MERCK & CO INC (US) | 2007-09-12 | — | — | EP | 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 |
| EP-0994867-A1 | POLYMORPHIC FORM OF THE TACHYKININ RECEPTOR ANTAGONIST 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 | Merck & Co., Inc. (US) | 2000-04-26 | — | — | EP | disclosed |
| US-6048859-A | ANTIEMETIC AGENT | MERCK & CO., INC. (US) | 2000-04-11 | — | — | US | disclosed |
| US-5922706-A | TREATING INFLAMMATORY DISEASES, PAIN OR MIGRAINE, ASTHMA AND EMESIS, AND CALCIUM CHANNEL BLOCKERS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISORDERS SUCH AS ANGINA, HYPERTENSION OR ISCHEMIA | MERCK & CO., INC. (US) | 1999-07-13 | — | — | US | disclosed |
| US-5872116-A | TREATMENT OF INFLAMATION, PAIN, MIGRAINE, ASTHMA AND EMESIS | MERCK & CO., INC. (US) | 1999-02-16 | — | — | US | disclosed |
| WO-1999001444-A1 | POLYMORPHIC FORM OF THE TACHYKININ RECEPTOR ANTAGONIST 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 | MERCK & CO., INC. (US) | 1999-01-14 | — | — | WO | disclosed |
| US-5780467-A | USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES, PAIN OR MIGRAINE, ASTHMA AND EMESIS | MERCK & CO., INC. (US) | 1998-07-14 | — | — | US | disclosed |
| US-5719147-A | Morpholine and thiomorpholine tachykinin receptor antagonists | MERCK & CO., INC. (US) | 1998-02-17 | — | — | US | disclosed |
| US-5691336-A | ANTIINFLAMMATORY AGENTS; ANALGESICS; THERAPY OF ASTHMA, EMESIS | MERCK & CO., INC. (US) | 1997-11-25 | — | — | 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 | PPARG 2345/4885CNR2 81/4885ALDH1A1 3320/4885 |
| US-20010041702-A1 | Polymorphic form of a tachykinin receptor antagonist | OPRL1, MC3R, OPRK1 | PPARG 3423/4885CNR2 119/4885ALDH1A1 3984/4885 |
| US-20030027825-A1 | Polymorphic form of a tachykinin receptor antagonist | OPRL1, MC3R, MC5R | PPARG 3395/4885CNR2 118/4885ALDH1A1 4047/4885 |
“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.