SCHEMBL4680879

SCHEMBL4680879

CC1(C)CC(=O)c2ccc(-c3cn(-c4cc(-c5ccccc5)nc(-c5cccc(N)c5)c4)cn3)nc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP11B2 P19099 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GLA P06280 1/20 0.35
GRM5 P41594 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL4683592 0.93 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2CYP2C19KDM4E
SCHEMBL4679880 0.87 CYP2C19 (0.40) ALDH1A1HPGDSMN1; SMN2CYP2C19KDM4E
SCHEMBL4680906 0.86 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2CYP2C19KDM4E
SCHEMBL4683106 0.84 MAPT (0.39) ALDH1A1HPGDSMN1; SMN2KDM4EMAPT
SCHEMBL6103021 0.84 GRM5 (0.40) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL4681114 0.82 CYP2C19 (0.36) ALDH1A1HPGDSMN1; SMN2CYP2C19CYP11B2
SCHEMBL4682833 0.76 GRM5 (0.42) ALDH1A1HPGDSMN1; SMN2KDM4EMAPT
SCHEMBL4740959 0.75 GRM5 (0.46) ALDH1A1HPGDKDM4ECYP11B2NPC1
SCHEMBL11644246 0.74 CYP2C19 (0.60) ALDH1A1HPGDSMN1; SMN2CYP2C19KDM4E
SCHEMBL4679212 0.72 CYP2C19 (0.42) ALDH1A1HPGDSMN1; SMN2CYP2C19KDM4E

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 7 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
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 ALDH1A1 3118/4885HPGD 775/4885SMN1; 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.