SCHEMBL4424281

SCHEMBL4424281

CCCCCC1CC(=O)c2ccc(OCc3ccccc3)nc2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.45
PKM P14618 1/20 0.38
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTPN1 P18031 1/20 0.35
CDC25B P30305 1/20 0.35
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL4429405 0.88 GRM5 (0.49) GRM5PKMCYP1A2ALDH1A1MAOB
SCHEMBL4424867 0.87 GRM5 (0.37) GRM5CYP1A2ALDH1A1NPC1RAB9A
SCHEMBL4424334 0.78 TLR8 (0.35) GRM5CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL4430763 0.72 GRM5 (0.46) GRM5ALDH1A1MEN1KMT2AMAOB
SCHEMBL4422402 0.72 PIK3CD (0.35) GRM5ALDH1A1KMT2ABRD4NPC1
SCHEMBL4275594 0.71 GRM5 (0.61) GRM5CYP1A2ALDH1A1MAOBMAOA
SCHEMBL4426163 0.71 CYP2C19 (0.52) GRM5ALDH1A1MAOBMAOAHPGD
SCHEMBL14087584 0.70 GRM5 (0.48) GRM5PKMCYP1A2ALDH1A1MAOB
Hydrochloric Acid SCHEMBL4432540 0.70 CYP2C19 (0.51) GRM5ALDH1A1MAOBMAOAHPGD
SCHEMBL4424066 0.69 MEN1 (0.32) GRM5CYP1A2MEN1KMT2ASMN1; SMN2

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 1/4885PKM 1813/4885PTGES 1260/4885

“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.