SCHEMBL4684356

SCHEMBL4684356

CC1(C)CC(=O)c2ccc(-c3nnn(-c4cc(C#N)cc(C(F)(F)F)c4)n3)nc2C1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.39
CYP11B2 P19099 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C19 P33261 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
SCHEMBL4679314 0.85 GRM5 (0.41) GRM5CYP11B2
SCHEMBL4683333 0.84 GRM5 (0.38) GRM5CYP11B2
SCHEMBL4678648 0.81 GRM5 (0.44) GRM5CYP11B2ALDH1A1CYP2C19
SCHEMBL4679212 0.76 CYP2C19 (0.42) GRM5ALDH1A1CYP2C19POLB
SCHEMBL4799118 0.71 GRM5 (0.41) GRM5CYP11B2ALDH1A1CYP2C19POLB
SCHEMBL4698873 0.70 GRM5 (0.74) GRM5
SCHEMBL13707060 0.69 CYP2C19 (0.47) GRM5CYP11B2ALDH1A1CYP2C19POLB
SCHEMBL8283632 0.67 PGR (0.58) GRM5ALDH1A1CYP2C19POLB
SCHEMBL13706913 0.67 CYP11B2 (0.49) CYP11B2ALDH1A1CYP2C19
SCHEMBL4682489 0.66 GRM5 (0.46) GRM5CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GRM5 2/4885CYP11B2 1254/4885ALDH1A1 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.