SCHEMBL2821515

SCHEMBL2821515

Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.81
PRNP P04156 1/20 0.81
PPARG P37231 1/20 0.81
NR2E3 Q9Y5X4 1/20 0.81
NCOR2 Q9Y618 1/20 0.81
ALDH1A1 P00352 2/20 0.79
GAA P10253 1/20 0.71
MAPT P10636 1/20 0.71
NPSR1 Q6W5P4 1/20 0.71
FABP3 P05413 1/20 0.57
FABP4 P15090 1/20 0.57
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
CASP3 P42574 4/20 0.49
PTGFR P43088 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL2822472 0.88 ALDH1A1 (1.00) RXFP1PRNPPPARGNR2E3NCOR2
SCHEMBL2821848 0.84 PRNP (0.75) RXFP1PRNPPPARGNR2E3NCOR2
SCHEMBL2821491 0.84 RXFP1 (0.75) RXFP1PRNPPPARGNR2E3NCOR2
SCHEMBL2826091 0.83 NPSR1 (1.00) RXFP1PRNPPPARGNR2E3NCOR2
SCHEMBL2823276 0.83 RXFP1 (0.73) RXFP1PRNPPPARGNR2E3NCOR2
SCHEMBL2825415 0.82 PRNP (0.72) RXFP1PRNPPPARGNR2E3NCOR2
SCHEMBL3970605 0.78 PRNP (0.79) RXFP1PRNPPPARGNR2E3NCOR2
SCHEMBL3970468 0.77 ALDH1A1 (0.79) RXFP1PRNPPPARGNR2E3NCOR2
SCHEMBL27684995 0.77 RXFP1 (0.65) RXFP1PRNPPPARGNR2E3NCOR2
SCHEMBL2821517 0.76 NPSR1 (0.67) RXFP1PRNPPPARGNR2E3NCOR2

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 11 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
CN-101068788-A As GABABQuinoline compounds as allosteric enhancers of receptors HOFFMANN LA ROCHE (CH) 2007-11-07 CN claimed
EP-1809605-A1 QUINOLINE AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS F. Hoffmann-Roche AG (CH) 2007-07-25 EP claimed
WO-2006048146-A1 QUINOLINE AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-11 WO 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
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 RXFP1 153/4885PRNP 3644/4885PPARG 470/4885

“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.