SCHEMBL4679544

SCHEMBL4679544

O=C1CCCc2nc(-n3cnc(-c4ccccc4)c3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.45
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NLRP3 Q96P20 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 3/20 0.38
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
RECQL P46063 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
SCHEMBL13707026 0.89 CYP2C19 (0.43) GRM5MAPTUSP2ALDH1A1LMNA
SCHEMBL4423454 0.85 GRM5 (0.48) GRM5ALDH1A1NPSR1KDM4ETSHR
SCHEMBL4682833 0.81 GRM5 (0.42) GRM5MAPTUSP2ALDH1A1NPC1
SCHEMBL5039087 0.77 GRM5 (0.57) GRM5MAPTUSP2ALDH1A1NPC1
SCHEMBL30558432 0.77 GRM5 (0.57) GRM5MAPTUSP2ALDH1A1NPC1
SCHEMBL4683272 0.77 XDH (0.41) GRM5ALDH1A1NPSR1KDM4ETSHR
SCHEMBL4683032 0.76 CYP19A1 (0.40) GRM5MAPTUSP2ALDH1A1NPC1
SCHEMBL4680924 0.75 GRM5 (0.40) GRM5ALDH1A1HSD17B10
SCHEMBL4683106 0.75 MAPT (0.39) GRM5MAPTUSP2ALDH1A1NPC1
SCHEMBL4421873 0.74 GRM5 (0.55) GRM5MAPTUSP2ALDH1A1NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943247-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-07-16 EP claimed
WO-2007023245-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 WO claimed
US-20060004001-A1 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO., KGAA (DE) 2006-01-05 US claimed
EP-1943247-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-07-16 EP disclosed
WO-2007023245-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 WO disclosed
US-20060004001-A1 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO., KGAA (DE) 2006-01-05 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-20060004001-A1 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors GRM1, GRM5, GRM2 GRM5 2/4885MAPT 1539/4885USP2 3604/4885

“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.