SCHEMBL2823191

SCHEMBL2823191

Cc1nc2ccc(N3CC4CCC(C3)O4)cc2c(-c2ccc(S(C)(=O)=O)cc2)c1C(=O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.37
PTGS1 P23219 5/20 0.35
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
RXFP1 Q9HBX9 2/20 0.34
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
PRNP P04156 1/20 0.34
PPARG P37231 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
GPR6 P46095 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL2821886 0.86 PTGS2 (0.41) PTGS2PTGS1DPP4DPP7RXFP1
SCHEMBL2821524 0.85 PTGS2 (0.40) PTGS2PTGS1RXFP1FABP3FABP4
SCHEMBL2820848 0.84 HTR2B (0.41) PTGS2PTGS1
SCHEMBL2821597 0.84 MEN1 (0.38) PTGS2PTGS1RXFP1ALDH1A1MEN1
SCHEMBL2821147 0.83 PTGS2 (0.38) PTGS2PTGS1RXFP1FABP3FABP4
SCHEMBL2822518 0.82 PTGS2 (0.37) PTGS2PTGS1DPP4DPP7
SCHEMBL2826443 0.81 NR1H2 (0.35) PTGS2PTGS1DPP4DPP7GPR6
SCHEMBL2825540 0.79 ALDH1A1 (0.39) PTGS2PTGS1RXFP1FABP3FABP4
SCHEMBL2821946 0.78 DHODH (0.40) RXFP1FABP3FABP4PRNPPPARG
SCHEMBL2821842 0.78 FABP4 (0.47) RXFP1FABP3FABP4PRNPPPARG

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 8 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-7576217-B2 Quinolines as allosteric enhancers of the GABAB receptors HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US 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
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 PTGS2 3237/4885PTGS1 2346/4885DPP4 3383/4885

“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.