SCHEMBL4683300

SCHEMBL4683300

CC1(C)CCc2nc(-c3nnn(-c4cc(-c5ccccc5)nc(-c5cccnc5)c4)n3)ccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
GRM5 P41594 9/20 0.42
CHRNB2 P17787 3/20 0.40
CHRNA5 P30532 3/20 0.40
CHRNA4 P43681 3/20 0.40
MAPT P10636 1/20 0.38
GRM1 Q13255 1/20 0.38
CYP19A1 P11511 1/20 0.37

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
SCHEMBL4684240 0.94 GRM5 (0.44) NPC1GRM5
SCHEMBL4679249 0.87 GRM5 (0.39) GRM5MAPT
SCHEMBL4683324 0.87 GRM5 (0.43) NPC1GRM5
SCHEMBL4684197 0.86 GRM5 (0.43) NPC1RAB9AGRM5CHRNB2CHRNA5
SCHEMBL4682836 0.84 GRM5 (0.43) GRM5
SCHEMBL4680870 0.80 GRM5 (0.41) NPC1RAB9AGRM5GRM1CYP19A1
SCHEMBL13706965 0.80 GRM5 (0.49) NPC1GRM5GRM1CYP19A1
SCHEMBL4678329 0.79 USP8 (0.44) GRM5MAPTGRM1CYP19A1
SCHEMBL4686026 0.78 USP8 (0.42) GRM5MAPTGRM1
SCHEMBL4686049 0.77 GRM5 (0.40) NPC1GRM5MAPT

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 4 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
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 NPC1 1212/4885RAB9A 1167/4885GRM5 2/4885

“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.