SCHEMBL4681114

SCHEMBL4681114

CC1(C)CC(=O)c2ccc(-c3cn(-c4cc(-c5cccnc5)nc(-c5cccc(F)c5)c4)cn3)nc2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
CYP11B2 P19099 5/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CYP11B1 P15538 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
ALPL P05186 1/20 0.34
HTT P42858 2/20 0.34
CYP2E1 P05181 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34

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
SCHEMBL4679880 0.94 CYP2C19 (0.40) CYP2C19ALDH1A1SMN1; SMN2HPGDHSP90AA1
SCHEMBL4680906 0.91 ALDH1A1 (0.41) CYP2C19ALDH1A1SMN1; SMN2HPGDCYP11B2
SCHEMBL4680527 0.86 GRM5 (0.42) CYP2C19ALDH1A1SMN1; SMN2HSP90AA1CYP11B2
SCHEMBL4683613 0.86 GRM5 (0.37) CYP2C19HSP90AA1HSP90AB1CYP11B2CYP11B1
SCHEMBL4683592 0.85 ALDH1A1 (0.43) CYP2C19ALDH1A1SMN1; SMN2HPGDCYP11B2
SCHEMBL4680879 0.82 ALDH1A1 (0.39) CYP2C19ALDH1A1SMN1; SMN2HPGDCYP11B2
SCHEMBL4680210 0.79 GRM5 (0.42) ALDH1A1SMN1; SMN2HPGDMAOAMAOB
SCHEMBL13707024 0.79 CYP2C19 (0.43) CYP2C19ALDH1A1SMN1; SMN2HPGDMAOA
SCHEMBL4737979 0.79 GRM5 (0.38) HSP90AA1HSP90AB1CYP11B2
SCHEMBL13673958 0.78 CYP2C19 (0.54) CYP2C19ALDH1A1SMN1; SMN2HPGDMAOA

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 3118/4885SMN1; SMN2 2226/4885

“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.