SCHEMBL758029

SCHEMBL758029

CC[C@](O)(c1cn(Cc2ccc3c(-c4cccc(N(C)C)c4)cc(C#N)nc3c2)nn1)C(F)(F)F

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 17/20 0.75
▸ ALOX5 P09917 3/20 0.52
▸ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL758030 1.00 GRM2 (0.75) GRM2ALOX5KCNH2
SCHEMBL760513 0.90 GRM2 (0.78) GRM2ALOX5KCNH2
SCHEMBL758184 0.90 GRM2 (0.78) GRM2ALOX5KCNH2
SCHEMBL2001260 0.90 GRM2 (0.84) GRM2ALOX5KCNH2
SCHEMBL756501 0.90 GRM2 (0.84) GRM2ALOX5KCNH2
SCHEMBL757025 0.90 GRM2 (0.86) GRM2ALOX5KCNH2
SCHEMBL757024 0.90 GRM2 (0.86) GRM2ALOX5KCNH2
SCHEMBL761180 0.89 GRM2 (0.77) GRM2ALOX5KCNH2
SCHEMBL757040 0.89 GRM2 (0.77) GRM2ALOX5KCNH2
SCHEMBL758880 0.87 GRM2 (0.74) GRM2ALOX5KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118093-B1 [1,2,3]TRIAZOLYL SUBSTITUTED QUINOLINES AND COUMARINS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK CANADA INC (CA) 2012-03-21 — — EP disclosed
US-7960409-B2 e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK SHARP & DOHME CORP. (US) 2011-06-14 — — US disclosed
US-20080188521-A1 e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK CANADA INC. (CA) 2008-08-07 — — 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080188521-A1 e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents ALOX5, ALOX15, ALOX15B GRM2 1766/4885ALOX5 1/4885KCNH2 1624/4885

“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.

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