SCHEMBL5226630

SCHEMBL5226630

O=C1OCCN(Cc2ccccc2)[C@@H]1c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.52
MAPT P10636 3/20 0.45
THRB P10828 1/20 0.45
SIGMAR1 Q99720 4/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
DRD2 P14416 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
DRD4 P21917 1/20 0.40
SLC6A12 P48065 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL2789725 1.00 RORC (0.52) RORCMAPTTHRBSIGMAR1GRIN2D
SCHEMBL264850 1.00 RORC (0.52) RORCMAPTTHRBSIGMAR1GRIN2D
Hydrochloric Acid SCHEMBL3457382 0.99 RORC (0.51) RORCMAPTTHRBSIGMAR1GRIN2D
Hydrochloric Acid SCHEMBL5258121 0.99 RORC (0.51) RORCMAPTTHRBSIGMAR1GRIN2D
SCHEMBL7018874 0.90 RORC (0.47) RORCMAPTTHRBSIGMAR1LMNA
SCHEMBL265267 0.90 RORC (0.47) RORCMAPTTHRBSIGMAR1LMNA
SCHEMBL265268 0.90 RORC (0.47) RORCMAPTTHRBSIGMAR1LMNA
Hydrochloric Acid SCHEMBL28415156 0.86 LMNA (0.47) RORCSIGMAR1GRIN2DGRIN3BDRD2
SCHEMBL16640421 0.77 RORC (0.56) RORCMAPTGRIN2BLMNATP53
SCHEMBL28079360 0.77 RORC (0.53) RORCMAPTSIGMAR1GRIN2DGRIN3B

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1106390-C Polymorphic form of 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) 2003-04-23 CN disclosed
US-20030027825-A1 Polymorphic form of a tachykinin receptor antagonist MERCK & CO. INC. 2003-02-06 US disclosed
EP-0748320-B1 PRODRUGS OF MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-11-13 EP 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-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-5716942-A ADMINISTERING TO ANTAGONIZE EFFECT OF SUBSTANCE P AT RECEPTOR SITE, BLOCKADE NEUROKININ-1 RECEPTORS MERCK & CO., INC. (US) 1998-02-10 US disclosed
US-5691336-A ANTIINFLAMMATORY AGENTS; ANALGESICS; THERAPY OF ASTHMA, EMESIS MERCK & CO., INC. (US) 1997-11-25 US disclosed
US-5637699-A CARDIOVASCULAR DISORDERS; ANTIINFLAMMATORY AGENT MERCK & CO., INC. (US) 1997-06-10 US disclosed
EP-0748320-A1 PRODRUGS OF MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-12-18 EP disclosed
EP-0734381-A1 MORPHOLINE AND THIOMORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-10-02 EP disclosed
US-5512570-A Treatment of emesis with morpholine tachykinin receptor antagonists MERCK & CO., INC. (US) 1996-04-30 US disclosed
WO-1995023798-A1 PRODRUGS OF MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-09-08 WO disclosed
WO-1995016679-A1 MORPHOLINE AND THIOMORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-06-22 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020002164-A1 Morpholine and thiomorpholine tachykinin receptor antagonists TRPM7, TRPM2, TRPM5 RORC 2778/4885MAPT 1058/4885THRB 218/4885
US-20010041702-A1 Polymorphic form of a tachykinin receptor antagonist OPRL1, MC3R, OPRK1 RORC 1848/4885MAPT 1858/4885THRB 388/4885
US-20030027825-A1 Polymorphic form of a tachykinin receptor antagonist OPRL1, MC3R, MC5R RORC 1816/4885MAPT 1867/4885THRB 385/4885

“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.