SCHEMBL4680957

SCHEMBL4680957

CC1(C)CC(=O)c2ccc(-c3cc(-c4ccccc4)nn3-c3cccnc3)nc2C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP8 P40818 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CYP2C19 P33261 1/20 0.40
SRC P12931 1/20 0.38
GRM1 Q13255 2/20 0.38
HTT P42858 1/20 0.38
GRM5 P41594 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP11B2 P19099 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL4683584 0.96 USP8 (0.42) USP8ALDH1A1HPGDSMN1; SMN2MAOA
SCHEMBL4741092 0.91 CYP2C19 (0.45) ALDH1A1HPGDSMN1; SMN2MAOAMAOB
SCHEMBL4683105 0.86 TP53 (0.42) ALDH1A1HPGDSMN1; SMN2CYP2C19SRC
SCHEMBL4683277 0.83 USP8 (0.45) USP8ALDH1A1HPGDSRCGRM1
SCHEMBL4684209 0.83 ALDH1A1 (0.42) ALDH1A1HPGDSMN1; SMN2MAOAMAOB
SCHEMBL4686026 0.82 USP8 (0.42) USP8CYP2C19GRM1GRM5CYP11B2
SCHEMBL4678329 0.81 USP8 (0.44) USP8CYP2C19GRM1GRM5CYP11B2
SCHEMBL4685631 0.81 CYP2C19 (0.41) ALDH1A1HPGDSMN1; SMN2CYP2C19SRC
SCHEMBL4683321 0.80 CYP2C19 (0.43) ALDH1A1HPGDSMN1; SMN2MAOAMAOB
SCHEMBL4683252 0.79 USP8 (0.44) USP8ALDH1A1HPGDGRM1GRM5

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 USP8 3424/4885ALDH1A1 3118/4885HPGD 775/4885

“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.