SCHEMBL4683105

SCHEMBL4683105

CC1(C)CC(=O)c2ccc(-c3cc(-c4ccccc4)nn3-c3cccc(F)c3)nc2C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2C19 P33261 1/20 0.40
CYP11B2 P19099 1/20 0.39
SRC P12931 2/20 0.39
GRM5 P41594 1/20 0.38
HTT P42858 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL4685631 0.95 CYP2C19 (0.41) TP53THRBALDH1A1HPGDSMN1; SMN2
SCHEMBL4741092 0.92 CYP2C19 (0.45) ALDH1A1HPGDSMN1; SMN2CYP2C19CYP11B2
SCHEMBL4680957 0.86 USP8 (0.43) ALDH1A1HPGDSMN1; SMN2CYP2C19CYP11B2
SCHEMBL4683114 0.84 KDM4E (0.42) ALDH1A1HPGDSRCGRM5HTT
SCHEMBL4684302 0.83 GRM5 (0.41) ALDH1A1HPGDGRM5
SCHEMBL4683584 0.82 USP8 (0.42) ALDH1A1HPGDSMN1; SMN2CYP2C19SRC
SCHEMBL4679025 0.81 CYP2C19 (0.43) TP53THRBALDH1A1HPGDSMN1; SMN2
SCHEMBL4680574 0.79 GRM5 (0.41) TP53ALDH1A1HPGDSMN1; SMN2SRC
SCHEMBL4679231 0.79 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2CYP2C19CYP11B2
SCHEMBL4684184 0.79 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2CYP2C19CYP11B2

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 810/4885ALDH1A1 3118/4885

“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.