SCHEMBL4433198

SCHEMBL4433198

COc1ccccc1-c1ccc2c(n1)CC(C)(C)CC2=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.54
GSK3B P49841 2/20 0.51
ALDH1A1 P00352 7/20 0.48
HTT P42858 2/20 0.48
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
MAP4K1 Q92918 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4418891 0.80 GABRA1 (0.46) CYP2C19GSK3BALDH1A1HTTMAOA
SCHEMBL11644246 0.79 CYP2C19 (0.60) CYP2C19ALDH1A1HTTMAOAMAOB
SCHEMBL4423540 0.78 GRM5 (0.47) ALDH1A1KDM4EL3MBTL1SMN1; SMN2HPGD
SCHEMBL5039146 0.77 CYP2C19 (0.48) CYP2C19GSK3BALDH1A1HTTMAOA
SCHEMBL4420855 0.76 CYP2C19 (0.50) CYP2C19ALDH1A1HTTMAOB
SCHEMBL13706982 0.76 CYP2C19 (0.56) CYP2C19ALDH1A1HTTMAOAMAOB
SCHEMBL4420845 0.75 GRM5 (0.51) GSK3BALDH1A1L3MBTL1HPGDMAPT
SCHEMBL4427130 0.74 MAP4K1 (0.47) CYP2C19ALDH1A1HTTMAOAMAOB
SCHEMBL27661685 0.74 GSK3B (0.38) GSK3BALDH1A1POLBL3MBTL1SMN1; SMN2
SCHEMBL4431186 0.74 MKNK1 (0.47) CYP2C19ALDH1A1HTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598384-B2 Tetrahydroquinolinones and their use as antagonists of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-10-06 US disclosed
EP-1723116-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co. KGaA (DE) 2006-11-22 EP disclosed
WO-2005082856-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-09 WO disclosed
US-20050197361-A1 Specific binding is extremely high; low toxicity; high degree of activity; 2-(5-m-Tolyl-thiazol-2-yl )-7,8-dihydro-6H-quinolin-5-one, acute and/or chronic neurological disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-08 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-20050197361-A1 Specific binding is extremely high; low toxicity; high degree of activity; 2-(5-m-Tolyl-thiazol-2-yl )-7,8-dihydro-6H-quinolin-5-one, acute and/or chronic neurological disorders GRM5, GRIK5, GRIN2C CYP2C19 3013/4885GSK3B 4104/4885ALDH1A1 1519/4885

“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.