SCHEMBL4433356

SCHEMBL4433356

CC1(C)CC(=O)c2ccc(C=Cc3ccccc3)nc2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.55
GRM5 P41594 3/20 0.49
ALDH1A1 P00352 8/20 0.49
HTT P42858 1/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 5/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PKM P14618 2/20 0.41
GRM4 Q14833 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL4433354 1.00 CYP2C19 (0.55) CYP2C19GRM5ALDH1A1HTTMAOA
Hydrochloric Acid SCHEMBL4424057 0.99 CYP2C19 (0.54) CYP2C19GRM5ALDH1A1HTTMAOA
Hydrochloric Acid SCHEMBL4424056 0.99 CYP2C19 (0.54) CYP2C19GRM5ALDH1A1HTTMAOA
SCHEMBL4421770 0.81 CYP2C19 (0.49) CYP2C19ALDH1A1HTTGAARAB9A
SCHEMBL4421775 0.81 CYP2C19 (0.49) CYP2C19ALDH1A1HTTGAARAB9A
SCHEMBL11644246 0.74 CYP2C19 (0.60) CYP2C19GRM5ALDH1A1HTTMAOA
SCHEMBL27661601 0.72 GRM4 (0.40) CYP2C19GRM5ALDH1A1HPGDSMN1; SMN2
SCHEMBL4426638 0.71 CYP2C19 (0.56) CYP2C19GRM5ALDH1A1HTTMAOA
SCHEMBL4420076 0.70 CYP2C19 (0.55) CYP2C19GRM5ALDH1A1HTTMAOA
Hydrochloric Acid SCHEMBL4429547 0.70 CYP2C19 (0.55) CYP2C19GRM5ALDH1A1HTTMAOA

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 10 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
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 3013/4885GRM5 1/4885ALDH1A1 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.