SCHEMBL4680586

SCHEMBL4680586

Cc1cccc(-c2cnc(-c3ccc4c(n3)CCC(C)(C)C4=O)s2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.49
PGR P06401 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
HSD17B1 P14061 4/20 0.37
HSD17B2 P37059 4/20 0.37
MAP3K5 Q99683 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
DHODH Q02127 1/20 0.34
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
ELANE P08246 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PRKDC P78527 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL13706998 0.91 GRM5 (0.48) GRM5RARBRARGHSD17B1HSD17B2
SCHEMBL4684358 0.89 GRM5 (0.40) GRM5RARBRARGHSD17B1HSD17B2
SCHEMBL8242656 0.89 GRM5 (0.40) GRM5RARBRARGHSD17B1HSD17B2
SCHEMBL4741602 0.87 GRM5 (0.39) GRM5RARBRARGHSD17B1HSD17B2
SCHEMBL4680546 0.87 GRM5 (0.44) GRM5PGR
SCHEMBL4680082 0.86 GRM5 (0.41) GRM5CYP3A4PARP10PARP11PRKDC
SCHEMBL13824420 0.84 GRM5 (0.54) GRM5PGRDHODHPARP10PARP11
SCHEMBL4679273 0.83 DHODH (0.41) GRM5HSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL4428642 0.82 GRM5 (0.47) GRM5PGRHSD17B1HSD17B2MAP3K5
SCHEMBL4686168 0.82 GRM5 (0.38) GRM5RARBRARGCYP3A4CYP2C9

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-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
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 2/4885PGR 2250/4885RARB 2353/4885

“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.