SCHEMBL4741602

SCHEMBL4741602

COc1cccc(-c2cnc(-c3ccc4c(n3)CCC(C)(C)C4=O)s2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.39
DHODH Q02127 1/20 0.37
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FYN P06241 1/20 0.36
HSD17B2 P37059 2/20 0.36
HSD17B1 P14061 1/20 0.36
HDAC1 Q13547 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
CYP19A1 P11511 1/20 0.35
MAOB P27338 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL4679273 0.95 DHODH (0.41) GRM5DHODHMAPTNFKB1RAB9A
SCHEMBL4686168 0.91 GRM5 (0.38) GRM5RAB9ASMN1; SMN2TDP1HDAC1
SCHEMBL13706998 0.88 GRM5 (0.48) GRM5MAPTNFKB1RAB9ANFKB2
SCHEMBL4680586 0.87 GRM5 (0.49) GRM5DHODHMAPTNFKB1RAB9A
SCHEMBL8242656 0.87 GRM5 (0.40) GRM5MAPTNFKB1RAB9ANFKB2
SCHEMBL4684358 0.87 GRM5 (0.40) GRM5DHODHHSD17B2HSD17B1RARB
SCHEMBL4421757 0.85 GRM5 (0.46) GRM5DHODHMAPTRAB9ASMN1; SMN2
SCHEMBL4680546 0.84 GRM5 (0.44) GRM5MAOB
SCHEMBL4420091 0.83 BRD4 (0.39) DHODHMAPTNFKB1RAB9ANFKB2
SCHEMBL4680082 0.83 GRM5 (0.41) GRM5CYP19A1

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
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
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 2/4885DHODH 1241/4885MAPT 1539/4885

“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.