SCHEMBL4334004

SCHEMBL4334004

CC1(C)CC(=O)c2ccc(C#Cc3cncc(F)c3)nc2C1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL4335449 0.86 GRM5 (0.59) GRM5CYP2C19ALDH1A1HTT
SCHEMBL8244741 0.83 CYP2C19 (0.46) GRM5CYP2C19ALDH1A1HTT
SCHEMBL4333441 0.83 CYP2C19 (0.46) GRM5CYP2C19ALDH1A1HTT
SCHEMBL4325863 0.81 GRM5 (0.58) GRM5CYP2C19ALDH1A1HTT
SCHEMBL2715440 0.81 GRM5 (0.67) GRM5ALDH1A1HTT
SCHEMBL4331867 0.81 GRM5 (0.62) GRM5
SCHEMBL4327921 0.79 GRM5 (0.63) GRM5CYP2C19ALDH1A1HTT
SCHEMBL4636362 0.79 GRM5 (0.55) GRM5CYP2C19
SCHEMBL4327913 0.79 GRM5 (0.66) GRM5
SCHEMBL4342428 0.77 GRM5 (0.57) GRM5CYP2C19ALDH1A1HTT

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 9 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
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-7550482-B2 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-06-23 US 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 GRM5 2/4885CYP2C19 3590/4885ALDH1A1 2587/4885
US-20050288284-A1 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors GRM1, GRM5, GRM2 GRM5 2/4885CYP2C19 2683/4885ALDH1A1 3100/4885

“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.