SCHEMBL4684209

SCHEMBL4684209

CC1(C)CC(=O)c2ccc(-c3nc(-c4ccccc4)nn3-c3cccnc3)nc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
GRM1 Q13255 2/20 0.38
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SRC P12931 1/20 0.36
EGFR P00533 2/20 0.36
CYP11B2 P19099 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4683321 0.95 CYP2C19 (0.43) ALDH1A1SMN1; SMN2HPGDCYP2C19MAOA
SCHEMBL4683140 0.91 CYP2C19 (0.48) ALDH1A1SMN1; SMN2HPGDCYP2C19MAOA
SCHEMBL4684180 0.87 CYP2C19 (0.39) ALDH1A1SMN1; SMN2HPGDCYP2C19TSHR
SCHEMBL4680957 0.83 USP8 (0.43) ALDH1A1SMN1; SMN2HPGDCYP2C19MAOA
SCHEMBL4683584 0.81 USP8 (0.42) ALDH1A1SMN1; SMN2HPGDCYP2C19MAOA
SCHEMBL4679025 0.80 CYP2C19 (0.43) ALDH1A1SMN1; SMN2HPGDCYP2C19HTT
SCHEMBL4682460 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HPGDCYP2C19MAOA
SCHEMBL13673710 0.79 CYP2C19 (0.55) ALDH1A1SMN1; SMN2HPGDCYP2C19MAOA
SCHEMBL4679811 0.77 CYP2C19 (0.41) ALDH1A1SMN1; SMN2HPGDCYP2C19MAOA
SCHEMBL11644246 0.74 CYP2C19 (0.60) ALDH1A1SMN1; SMN2HPGDCYP2C19MAOA

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 ALDH1A1 3118/4885SMN1; SMN2 2226/4885HPGD 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.