SCHEMBL4430470

SCHEMBL4430470

COc1cccc(Cc2ccc3c(n2)C(C)CC(C)(C)C3=O)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.38
ALPL P05186 3/20 0.38
HTR1B P28222 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
CNR1 P21554 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
CMA1 P23946 1/20 0.36
DHFR P00374 1/20 0.36
KMT2A Q03164 2/20 0.35
IDH1 O75874 1/20 0.35
MEN1 O00255 1/20 0.35
VKORC1 Q9BQB6 1/20 0.35
XIAP P98170 1/20 0.35
BIRC2 Q13490 1/20 0.35
ACHE P22303 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL4421876 0.79 MAOB (0.40) KMT2AMEN1
SCHEMBL14087702 0.78 GRM5 (0.43) ALPLHTR1BTLR8TLR7CNR1
SCHEMBL4432514 0.71 ALDH1A1 (0.39) KMT2AMEN1
SCHEMBL4426519 0.66 GRM5 (0.34) KMT2AMEN1
SCHEMBL27625505 0.65 CYSLTR1 (0.56) TLR8TLR7KMT2AMEN1
SCHEMBL9391669 0.65 BACE1 (0.64) HTR1BTLR8TLR7DHFRKMT2A
SCHEMBL9390281 0.65 TAAR1 (0.49) HTR1BTLR8TLR7DHFRTAAR1
SCHEMBL9391686 0.64 TAAR1 (0.49) HTR1BTLR8TLR7DHFRTAAR1
SCHEMBL28778796 0.64 ALPL (0.49) ALPLHTR1BCNR1GPR55CMA1
SCHEMBL7671410 0.64 DHFR (0.48) HTR1BTLR8TLR7DHFRTAAR1

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 8 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
US-7598384-B2 Tetrahydroquinolinones and their use as antagonists of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-10-06 US disclosed
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-B1 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO KGAA (DE) 2008-09-24 EP 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
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 CCR2 297/4885ALPL 3302/4885HTR1B 73/4885

“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.