SCHEMBL2825540

SCHEMBL2825540

Cc1nc2ccc(N3CCC(O)(c4ccccc4)CC3)cc2c(-c2ccc(S(C)(=O)=O)cc2)c1C(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MCHR1 Q99705 2/20 0.38
PTGS2 P35354 4/20 0.37
RXFP1 Q9HBX9 2/20 0.36
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
PRNP P04156 1/20 0.36
PPARG P37231 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
SLC6A9 P48067 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GPR6 P46095 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 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
SCHEMBL2821958 0.92 FABP3 (0.43) ALDH1A1MCHR1RXFP1FABP3FABP4
SCHEMBL2821147 0.91 PTGS2 (0.38) ALDH1A1PTGS2RXFP1FABP3FABP4
SCHEMBL2828012 0.90 ALDH1A1 (0.41) ALDH1A1MCHR1RXFP1FABP3FABP4
SCHEMBL2821886 0.87 PTGS2 (0.41) ALDH1A1PTGS2RXFP1FABP3FABP4
SCHEMBL2821524 0.86 PTGS2 (0.40) ALDH1A1PTGS2RXFP1FABP3FABP4
SCHEMBL27685274 0.84 HSD11B1 (0.36) ALDH1A1MCHR1PTGS2SLC6A9MEN1
SCHEMBL2825542 0.84 KIF18A (0.35) ALDH1A1MCHR1PTGS2MEN1KMT2A
SCHEMBL2822518 0.83 PTGS2 (0.37) PTGS2PTGS1
SCHEMBL2821597 0.82 MEN1 (0.38) ALDH1A1MCHR1PTGS2RXFP1SLC6A9
SCHEMBL27685273 0.82 PSIP1 (0.37) ALDH1A1MCHR1PTGS2MEN1KMT2A

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
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 925/4885MCHR1 161/4885PTGS2 3237/4885

“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.