SCHEMBL4424334

SCHEMBL4424334

CCCCCC1CC(=O)c2ccc(-c3ccccc3)nc2C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
STAT1 P42224 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM2 Q14416 4/20 0.33
GRM5 P41594 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL4424281 0.78 GRM5 (0.45) HPGDALDH1A1NPC1RAB9AMEN1
SCHEMBL4424867 0.78 GRM5 (0.37) ALDH1A1NPC1STAT1RAB9AGRM5
SCHEMBL4424066 0.73 MEN1 (0.32) MAPTMEN1KMT2AGRM5CYP1A2
SCHEMBL4423503 0.72 KCNH2 (0.42) MAPTGRM5
SCHEMBL4424254 0.72 ALDH1A1 (0.41) HPGDALDH1A1NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL4433071 0.71 ALDH1A1 (0.41) HPGDALDH1A1NPC1MAPTRAB9A
SCHEMBL11643793 0.68 GRM5 (0.45) ALDH1A1RAB9AMEN1KMT2AGRM5
SCHEMBL2365350 0.68 MAPT (0.42) HPGDALDH1A1MAPT
SCHEMBL4432336 0.67 CYP26A1 (0.38) ALDH1A1KMT2A
SCHEMBL4429757 0.66 GRM5 (0.42) TLR8HPGDALDH1A1NPC1RAB9A

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 TLR8 371/4885HPGD 1559/4885ALDH1A1 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.