SCHEMBL4683558

SCHEMBL4683558

CC1(C)CCc2nc(-c3cc(-c4cccc(C#N)c4)on3)ccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.46
GRM5 P41594 3/20 0.45
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
USP30 Q70CQ3 1/20 0.37
BACE1 P56817 7/20 0.36
FAAH O00519 1/20 0.36
SCD O00767 1/20 0.35
SCD5 Q86SK9 1/20 0.35
PRF1 P14222 1/20 0.35
CYP11B2 P19099 1/20 0.35
CTSD P07339 2/20 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
SCHEMBL4686107 0.87 GRM5 (0.39) PGRGRM5BACE1CYP11B2
SCHEMBL13707061 0.87 GRM5 (0.53) PGRGRM5BACE1CYP11B2CTSD
SCHEMBL4683347 0.85 RPS6KB1 (0.42) PGRGRM5CYP3A4CYP2C9CYP2C19
SCHEMBL6103044 0.83 PGR (0.44) PGRGRM5BACE1FAAHCYP11B2
SCHEMBL4427166 0.82 GRM5 (0.46) PGRGRM5CYP3A4CYP2C9CYP2C19
SCHEMBL4431361 0.82 PGR (0.52) PGRGRM5CYP3A4CYP2C9CYP2C19
SCHEMBL4680546 0.79 GRM5 (0.44) PGRGRM5BACE1PRF1CYP11B2
SCHEMBL4679394 0.78 GRM5 (0.36) GRM5CYP3A4CYP2C9CYP2C19
SCHEMBL13707001 0.74 GRM5 (0.46) PGRGRM5BACE1CYP11B2
SCHEMBL4686098 0.74 GRM5 (0.44) PGRGRM5CYP3A4CYP2C19BACE1

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 7 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
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 PGR 2250/4885GRM5 2/4885CYP3A4 2584/4885

“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.