SCHEMBL4679880

SCHEMBL4679880

CC1(C)CC(=O)c2ccc(-c3cn(-c4cc(-c5cccc(F)c5)nc(-c5cccc(F)c5)c4)cn3)nc2C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
CYP11B2 P19099 7/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 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
SCHEMBL4681114 0.94 CYP2C19 (0.36) CYP2C19ALDH1A1HTTCYP11B2HPGD
SCHEMBL4683592 0.90 ALDH1A1 (0.43) CYP2C19ALDH1A1HTTCYP11B2HPGD
SCHEMBL4680879 0.87 ALDH1A1 (0.39) CYP2C19ALDH1A1HTTCYP11B2HPGD
SCHEMBL4680210 0.84 GRM5 (0.42) ALDH1A1HTTHPGDSMN1; SMN2TP53
SCHEMBL4680906 0.84 ALDH1A1 (0.41) CYP2C19ALDH1A1HTTCYP11B2HPGD
SCHEMBL4737979 0.84 GRM5 (0.38) CYP11B2HSP90AA1HSP90AB1
SCHEMBL13673958 0.83 CYP2C19 (0.54) CYP2C19ALDH1A1HTTHPGDSMN1; SMN2
SCHEMBL4680527 0.79 GRM5 (0.42) CYP2C19ALDH1A1CYP11B2SMN1; SMN2HSP90AA1
SCHEMBL4683613 0.79 GRM5 (0.37) CYP2C19CYP11B2HSP90AA1HSP90AB1
SCHEMBL4685631 0.76 CYP2C19 (0.41) CYP2C19ALDH1A1HTTCYP11B2HPGD

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 6 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
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 CYP2C19 2841/4885ALDH1A1 3118/4885HTT 533/4885

“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.