SCHEMBL4432463

SCHEMBL4432463

CC1(C)CC(=O)c2c(nc(N3CCN(c4ccccc4)CC3)c(C#N)c2OCO)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 3/20 0.43
HSD17B10 Q99714 2/20 0.43
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
KDM4E B2RXH2 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL4423932 0.92 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2MAPTHSD17B10
SCHEMBL4425678 0.89 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2MAPTHSD17B10
SCHEMBL4426636 0.84 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2MAPTHSD17B10
SCHEMBL4433131 0.82 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2MAPTHSD17B10
SCHEMBL4419966 0.82 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2MAPTHSD17B10
SCHEMBL4433681 0.81 GRM2 (0.40) ALDH1A1NPSR1MEN1HTTKMT2A
SCHEMBL4432400 0.79 GRM2 (0.42) ALDH1A1SMN1; SMN2MAPTNPSR1CYP11B2
SCHEMBL4430779 0.76 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2MAPTHSD17B10
SCHEMBL4421442 0.76 GRM2 (0.41) ALDH1A1HPGDHSD17B10KDM4ECYP11B2
SCHEMBL4430793 0.73 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2MAPTHSD17B10

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 ALDH1A1 1519/4885HPGD 1559/4885SMN1; SMN2 884/4885

“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.