SCHEMBL4686107

SCHEMBL4686107

CC1(C)CCc2nc(-c3cc(-c4cc(F)cc(C#N)c4)on3)ccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.39
KCNH2 Q12809 1/20 0.38
PGR P06401 8/20 0.38
NR3C1 P04150 1/20 0.38
NR3C2 P08235 1/20 0.38
AR P10275 1/20 0.38
BACE1 P56817 2/20 0.35
CYP11B2 P19099 1/20 0.34
APP P05067 1/20 0.33

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
SCHEMBL13707001 0.87 GRM5 (0.46) GRM5KCNH2PGRNR3C1NR3C2
SCHEMBL4683558 0.87 PGR (0.46) GRM5PGRBACE1CYP11B2
SCHEMBL4679394 0.86 GRM5 (0.36) GRM5KCNH2
SCHEMBL4686358 0.84 GRM5 (0.39) GRM5KCNH2PGRNR3C1NR3C2
SCHEMBL4683347 0.84 RPS6KB1 (0.42) GRM5PGRBACE1
SCHEMBL4429417 0.82 CYP2C19 (0.40) GRM5KCNH2PGRNR3C1NR3C2
SCHEMBL4686465 0.80 GRM5 (0.38) GRM5KCNH2PGRNR3C1NR3C2
SCHEMBL4686336 0.75 CYP11B2 (0.40) GRM5KCNH2PGRNR3C1NR3C2
SCHEMBL13707061 0.75 GRM5 (0.53) GRM5PGRBACE1CYP11B2
SCHEMBL4337076 0.74 GRM5 (0.65) 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 GRM5 2/4885KCNH2 760/4885PGR 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.