SCHEMBL2822202

SCHEMBL2822202

CC(=O)c1c(CC(C)C)nc2ccc(Br)cc2c1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
DPP4 P27487 5/20 0.65
RXFP1 Q9HBX9 2/20 0.58
PRNP P04156 1/20 0.58
PPARG P37231 1/20 0.58
NR2E3 Q9Y5X4 1/20 0.58
NCOR2 Q9Y618 1/20 0.58
FABP3 P05413 3/20 0.46
FABP4 P15090 3/20 0.46
FABP5 Q01469 2/20 0.46
HTT P42858 1/20 0.46
PTGFR P43088 5/20 0.43
CYP3A4 P08684 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL3896604 0.88 DPP4 (0.61) ALDH1A1DPP4RXFP1PRNPPPARG
SCHEMBL27703968 0.83 DPP4 (0.64) ALDH1A1DPP4RXFP1PRNPPPARG
SCHEMBL3895184 0.81 DPP4 (0.78) ALDH1A1DPP4RXFP1PRNPPPARG
SCHEMBL3903831 0.81 DPP4 (0.61) ALDH1A1DPP4RXFP1PRNPPPARG
SCHEMBL2822472 0.80 ALDH1A1 (1.00) ALDH1A1RXFP1PRNPPPARGNR2E3
SCHEMBL3903825 0.80 DPP4 (0.69) ALDH1A1DPP4RXFP1PRNPPPARG
SCHEMBL5179728 0.80 DPP4 (0.80) ALDH1A1DPP4RXFP1PRNPPPARG
SCHEMBL2822204 0.79 ALDH1A1 (0.43) ALDH1A1DPP4RXFP1PRNPPPARG
SCHEMBL3903059 0.79 DPP4 (1.00) DPP4
SCHEMBL4702784 0.79 DPP4 (0.67) ALDH1A1DPP4RXFP1PRNPPPARG

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-1809605-B1 QUINOLINES AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-11 EP claimed
US-20060094754-A1 Quinolines as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. 2006-05-04 US claimed
EP-1809605-B1 QUINOLINES AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
US-7576217-B2 Quinolines as allosteric enhancers of the GABAB receptors HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
EP-1809605-A1 QUINOLINE AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS F. Hoffmann-Roche AG (CH) 2007-07-25 EP disclosed
WO-2006048146-A1 QUINOLINE AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-11 WO disclosed
US-20060094754-A1 Quinolines as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. 2006-05-04 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-20060094754-A1 Quinolines as allosteric enhancers of the GABAB receptors GABRB1, GABRB2, GABRA1 ALDH1A1 925/4885DPP4 3383/4885RXFP1 153/4885

“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.