SCHEMBL4680099

SCHEMBL4680099

CC1(C)CC(=O)c2ccc(-c3nc(-c4cccnc4)c(N)n3-c3cccc(F)c3)nc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39
CYP2C19 P33261 1/20 0.38
ALPL P05186 1/20 0.38
CYP11B2 P19099 2/20 0.36
CYP11B1 P15538 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
BACE1 P56817 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ROS1 P08922 1/20 0.33
HTT P42858 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
AKT3 Q9Y243 1/20 0.33
HCRTR1 O43613 1/20 0.33

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
SCHEMBL4786526 0.96 TP53 (0.37) TP53THRBCYP2C19ALPLCYP11B2
SCHEMBL4680655 0.91 TP53 (0.42) TP53THRBCYP2C19CYP11B2ALDH1A1
SCHEMBL4679811 0.91 CYP2C19 (0.41) CYP2C19ALPLPIK3CDPIK3CAPIK3CB
SCHEMBL4683379 0.91 TP53 (0.42) TP53THRBCYP2C19CYP11B2ALDH1A1
SCHEMBL4682460 0.87 ALDH1A1 (0.41) CYP2C19ALPLALDH1A1HPGDSMN1; SMN2
SCHEMBL4682942 0.82 CYP2C19 (0.46) CYP2C19CYP11B2ALDH1A1HPGDSMN1; SMN2
SCHEMBL4684180 0.81 CYP2C19 (0.39) TP53THRBCYP2C19ALPLCYP11B2
SCHEMBL13673710 0.76 CYP2C19 (0.55) CYP2C19ALPLPIK3CDPIK3CAPIK3CB
SCHEMBL4683095 0.74 CYP2C19 (0.46) CYP2C19CYP11B2ALDH1A1HPGDSMN1; SMN2
SCHEMBL4681114 0.74 CYP2C19 (0.36) CYP2C19ALPLCYP11B2CYP11B1PIK3CD

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.