SCHEMBL4424867

SCHEMBL4424867

CCCCCC1CC(=O)c2ccc(OCC)nc2C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.37
CYP1A2 P05177 1/20 0.35
SIRT2 Q8IXJ6 7/20 0.34
TSHR P16473 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
STAT1 P42224 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
BTK Q06187 1/20 0.30

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 0.87 GRM5 (0.45) GRM5CYP1A2NPC1RAB9AALDH1A1
SCHEMBL4424334 0.78 TLR8 (0.35) GRM5CYP1A2NPC1STAT1RAB9A
SCHEMBL4424066 0.75 MEN1 (0.32) GRM5CYP1A2SIRT2
SCHEMBL4423503 0.74 KCNH2 (0.42) GRM5SIRT2PIK3CDPIK3CAPIK3CB
SCHEMBL4429405 0.72 GRM5 (0.49) GRM5CYP1A2NPC1RAB9AALDH1A1
SCHEMBL4425501 0.71 ALDH1A1 (0.58) TSHRKDM4EALDH1A1POLBL3MBTL1
SCHEMBL4426496 0.71 GRM5 (0.44) GRM5CYP1A2TSHRNPC1RAB9A
SCHEMBL5040304 0.69 CYP2C19 (0.59) GRM5TSHRKDM4ENPC1RAB9A
SCHEMBL13660375 0.68 GRM5 (0.42) GRM5TSHRNPC1RAB9A
SCHEMBL11873418 0.66 CYP1A2 (0.39) CYP1A2SIRT2ALDH1A1POLBL3MBTL1

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 5 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-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 GRM5 1/4885CYP1A2 1282/4885SIRT2 2405/4885

“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.