SCHEMBL4424241

SCHEMBL4424241

CC1(C)CC(=O)c2ccc(Nc3ccc(CC#N)c(F)c3)nc2C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.43
CYP2C19 P33261 1/20 0.42
MAP4K1 Q92918 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL4425787 0.86 MAP4K1 (0.45) GRM5CYP2C19MAP4K1ALDH1A1HTT
SCHEMBL4429787 0.82 GRM5 (0.40) GRM5MAP4K1ALDH1A1NPC1RAB9A
SCHEMBL4432297 0.77 MAOA (0.43) GRM5CYP2C19MAP4K1ALDH1A1HTT
SCHEMBL4424035 0.76 MAOA (0.44) GRM5CYP2C19MAP4K1ALDH1A1HTT
SCHEMBL4432318 0.72 CYP2C19 (0.55) GRM5CYP2C19MAP4K1ALDH1A1HTT
SCHEMBL4432470 0.72 CYP2C19 (0.51) GRM5CYP2C19MAP4K1ALDH1A1HTT
SCHEMBL4423359 0.71 MAP4K1 (0.52) GRM5CYP2C19MAP4K1ALDH1A1HTT
SCHEMBL4430358 0.70 KMT2A (0.53) CYP2C19MAP4K1ALDH1A1HTTNPC1
SCHEMBL4424099 0.70 BRAF (0.39) GRM5MAP4K1ALDH1A1NPC1RAB9A
SCHEMBL4424753 0.69 MAOA (0.55) GRM5CYP2C19MAP4K1ALDH1A1HTT

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 claimed
EP-1723116-B1 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO KGAA (DE) 2008-09-24 EP claimed
EP-1723116-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co. KGaA (DE) 2006-11-22 EP claimed
WO-2005082856-A2 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2005-09-09 WO claimed
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 claimed
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
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 GRM5 1/4885CYP2C19 3013/4885MAP4K1 2176/4885

“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.