SCHEMBL4329102

SCHEMBL4329102

CC1(C)CC(=O)c2ccc(C#Cn3cnc(-c4cccnc4)c3)nc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.40
CYP2A6 P11509 3/20 0.40
CYP2E1 P05181 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2B6 P20813 2/20 0.40
GRM5 P41594 3/20 0.39
CYP3A4 P08684 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
ALPL P05186 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 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
SCHEMBL4324014 0.84 GRM5 (0.46) CYP2C19CYP2A6CYP2E1CYP2C9CYP2B6
SCHEMBL4322594 0.82 GRM5 (0.51) CYP2C19CYP2A6CYP2E1CYP2C9CYP2B6
SCHEMBL13707024 0.79 CYP2C19 (0.43) CYP2C19CYP2A6CYP2E1CYP2C9CYP2B6
SCHEMBL4635307 0.77 GRM5 (0.41) CYP2C19CYP2A6CYP2E1CYP2C9CYP2B6
SCHEMBL13673710 0.77 CYP2C19 (0.55) CYP2C19CYP2A6GRM5MAOAMAOB
SCHEMBL4331727 0.74 CYP2C19 (0.40) CYP2C19GRM5CYP3A4MAOAMAOB
SCHEMBL4322585 0.73 CYP2C19 (0.39) CYP2C19GRM5MAOAMAOBALDH1A1
SCHEMBL4321156 0.73 CYP2C19 (0.39) CYP2C19GRM5MAOAMAOBALDH1A1
SCHEMBL4635284 0.73 GRM5 (0.43) CYP2C19CYP2A6CYP2E1CYP2C9CYP2B6
SCHEMBL4680906 0.72 ALDH1A1 (0.41) CYP2C19CYP2A6CYP2E1CYP2C9CYP2B6

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227582-A1 Tetrahydroquinolinones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-09-10 US claimed
US-7550482-B2 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-06-23 US claimed
EP-1931635-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-06-18 EP claimed
WO-2007023290-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 WO claimed
WO-2007023242-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 WO claimed
US-20050288284-A1 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2005-12-29 US claimed
US-20090227582-A1 Tetrahydroquinolinones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-09-10 US disclosed
US-20090227582-A1 Tetrahydroquinolinones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-09-10 US disclosed
US-7550482-B2 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-06-23 US disclosed
US-7550482-B2 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-06-23 US disclosed
EP-1931635-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-06-18 EP disclosed
WO-2007023290-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 WO disclosed
WO-2007023242-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 WO disclosed
WO-2007023290-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 WO disclosed
WO-2007023242-A1 TETRAHYDROQUINOLINONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-03-01 WO disclosed
US-20050288284-A1 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2005-12-29 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 (2 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-20090227582-A1 Tetrahydroquinolinones and their use as modulators of metabotropic glutamate receptors GRM1, GRM5, GRM2 CYP2C19 3590/4885CYP2A6 3131/4885CYP2E1 3048/4885
US-20050288284-A1 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors GRM1, GRM5, GRM2 CYP2C19 2683/4885CYP2A6 2320/4885CYP2E1 2471/4885

“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.