SCHEMBL2821080

SCHEMBL2821080

Cc1nc2ccc(Br)cc2c(-c2ccc(S(C)(=O)=O)cc2)c1C(=O)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.56
PPARG P37231 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
NR2E3 Q9Y5X4 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
ALDH1A1 P00352 2/20 0.55
HTT P42858 1/20 0.45
PTGS2 P35354 2/20 0.42
CASP3 P42574 4/20 0.40
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
DHODH Q02127 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
SCHEMBL2823276 0.87 RXFP1 (0.73) PRNPPPARGRXFP1NR2E3NCOR2
SCHEMBL2821075 0.86 PRNP (0.59) PRNPPPARGRXFP1NR2E3NCOR2
SCHEMBL2821061 0.82 MAT2A (0.40) PRNPPPARGRXFP1NR2E3NCOR2
SCHEMBL2821494 0.82 PRNP (0.57) PRNPPPARGRXFP1NR2E3NCOR2
SCHEMBL2824696 0.81 MEN1 (0.47) RXFP1ALDH1A1CASP3
SCHEMBL2850553 0.73 CASP3 (0.43) PRNPPPARGRXFP1NR2E3NCOR2
SCHEMBL3970605 0.72 PRNP (0.79) PRNPPPARGRXFP1NR2E3NCOR2
SCHEMBL2822472 0.71 ALDH1A1 (1.00) PRNPPPARGRXFP1NR2E3NCOR2
SCHEMBL3970468 0.71 ALDH1A1 (0.79) PRNPPPARGRXFP1NR2E3NCOR2
SCHEMBL2821515 0.70 RXFP1 (0.81) PRNPPPARGRXFP1NR2E3NCOR2

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
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
CN-101068788-A As GABABQuinoline compounds as allosteric enhancers of receptors HOFFMANN LA ROCHE (CH) 2007-11-07 CN 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 PRNP 3644/4885PPARG 470/4885RXFP1 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.