SCHEMBL4683102

SCHEMBL4683102

CC1(C)CC(=O)c2ccc(-c3nc(-c4ccccc4)cn3-c3ccccc3)nc2C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.49
CYP11B2 P19099 2/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PTGS2 P35354 1/20 0.39
NTSR1 P30989 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL11644246 0.83 CYP2C19 (0.60) CYP2C19ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL4787556 0.81 GRM5 (0.44) ALDH1A1HPGDSMN1; SMN2KDM4ENPSR1
SCHEMBL4683140 0.79 CYP2C19 (0.48) CYP2C19CYP11B2ALDH1A1HPGDSMN1; SMN2
SCHEMBL4680787 0.79 GRM5 (0.47) CYP11B2ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL4679864 0.79 PTGS2 (0.37) CYP11B2ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL4683095 0.78 CYP2C19 (0.46) CYP2C19CYP11B2ALDH1A1HPGDSMN1; SMN2
SCHEMBL4739381 0.78 CYP2C19 (0.46) CYP2C19CYP11B2ALDH1A1HPGDSMN1; SMN2
SCHEMBL4682942 0.78 CYP2C19 (0.46) CYP2C19CYP11B2ALDH1A1HPGDSMN1; SMN2
SCHEMBL4741092 0.77 CYP2C19 (0.45) CYP2C19CYP11B2ALDH1A1HPGDSMN1; SMN2
SCHEMBL4678974 0.76 PTGS2 (0.37) CYP11B2ALDH1A1HPGDSMN1; SMN2KDM4E

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 CYP2C19 2841/4885CYP11B2 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.