SCHEMBL4683379

SCHEMBL4683379

CC1(C)CC(=O)c2ccc(-c3nc(-c4ccccc4)c(N)n3-c3cccc(F)c3)nc2C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.42
THRB P10828 1/20 0.42
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP11B2 P19099 2/20 0.37
HTT P42858 1/20 0.36
NTSR1 P30989 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL4680655 0.95 TP53 (0.42) TP53THRBCYP2C19ALDH1A1HPGD
SCHEMBL4786526 0.92 TP53 (0.37) TP53THRBCYP2C19ALDH1A1HPGD
SCHEMBL4682942 0.92 CYP2C19 (0.46) CYP2C19ALDH1A1HPGDSMN1; SMN2CYP11B2
SCHEMBL4680099 0.91 TP53 (0.39) TP53THRBCYP2C19ALDH1A1HPGD
SCHEMBL4682460 0.85 ALDH1A1 (0.41) CYP2C19ALDH1A1HPGDSMN1; SMN2NTSR1
SCHEMBL4683095 0.84 CYP2C19 (0.46) CYP2C19ALDH1A1HPGDSMN1; SMN2CYP11B2
SCHEMBL4679811 0.81 CYP2C19 (0.41) CYP2C19ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL4739381 0.80 CYP2C19 (0.46) CYP2C19ALDH1A1HPGDSMN1; SMN2CYP11B2
SCHEMBL4683105 0.77 TP53 (0.42) TP53THRBCYP2C19ALDH1A1HPGD
SCHEMBL4679025 0.77 CYP2C19 (0.43) TP53THRBCYP2C19ALDH1A1HPGD

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 TP53 4839/4885THRB 810/4885CYP2C19 2841/4885

“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.