SCHEMBL8244584

SCHEMBL8244584

O=C1CCCc2nc(-c3nncs3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.42
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
KDM4E B2RXH2 3/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
MAP4K1 Q92918 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL13706909 0.77 RAB9A (0.43) GRM5MAOAMAOBMAPTUSP2
SCHEMBL13707073 0.77 CYP2C19 (0.54) GRM5ALDH1A1MAOAMAOBSMN1; SMN2
SCHEMBL13706972 0.76 GRM5 (0.41) GRM5ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL13706961 0.76 GRM5 (0.41) GRM5ALDH1A1NPSR1MAOAMAOB
SCHEMBL13707071 0.76 GRM5 (0.45) GRM5MAP4K1
SCHEMBL8283775 0.74 GRM5 (0.42) GRM5ALDH1A1NPSR1MAOAMAOB
SCHEMBL4334628 0.74 GRM5 (0.58) GRM5
SCHEMBL4429692 0.72 KDM4E (0.46) GRM5ALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL8244036 0.71 GRM5 (0.42) GRM5ALDH1A1NPSR1MAOAMAOB
SCHEMBL5039087 0.71 GRM5 (0.57) GRM5ALDH1A1NPSR1MAOAMAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227582-A1 Tetrahydroquinolinones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-09-10 US disclosed
US-7550482-B2 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-06-23 US disclosed
WO-2007023290-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 WO 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-20090227582-A1 Tetrahydroquinolinones and their use as modulators of metabotropic glutamate receptors GRM1, GRM5, GRM2 GRM5 2/4885ALDH1A1 2587/4885NPSR1 231/4885

“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.