SCHEMBL4686336

SCHEMBL4686336

CC1(C)CCc2nc(-n3cnc(-c4cc(F)cc(C#N)c4)c3)ccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.40
GRM5 P41594 6/20 0.39
PGR P06401 6/20 0.36
NR3C1 P04150 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
BACE1 P56817 3/20 0.34
APP P05067 1/20 0.33
KCNH2 Q12809 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
SCHEMBL4684400 0.89 CYP11B2 (0.40) CYP11B2GRM5PGRBACE1APP
SCHEMBL4686098 0.87 GRM5 (0.44) CYP11B2GRM5PGRBACE1
SCHEMBL13707001 0.84 GRM5 (0.46) CYP11B2GRM5PGRNR3C1NR3C2
SCHEMBL4683088 0.83 GRM5 (0.37) GRM5
SCHEMBL4421453 0.83 GRM5 (0.43) CYP11B2GRM5PGRNR3C1NR3C2
SCHEMBL4681286 0.81 MAPK8 (0.39) GRM5
SCHEMBL4679372 0.80 GRM5 (0.40) GRM5
SCHEMBL4686152 0.78 GRM5 (0.36) CYP11B2GRM5
SCHEMBL4683376 0.77 BACE1 (0.30) GRM5BACE1
SCHEMBL4736631 0.77 GRM5 (0.34) GRM5

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 CYP11B2 1254/4885GRM5 2/4885PGR 2250/4885

“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.