SCHEMBL2820848

SCHEMBL2820848

Cc1nc2ccc(N3CCC(N(C)C)C3)cc2c(-c2ccc(S(C)(=O)=O)cc2)c1C(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.41
HTR6 P50406 2/20 0.41
MCHR1 Q99705 4/20 0.38
TRPV1 Q8NER1 2/20 0.38
MELK Q14680 2/20 0.38
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
SOS1 Q07889 2/20 0.37
PTGS2 P35354 4/20 0.37
PTGS1 P23219 2/20 0.37
NTSR1 P30989 1/20 0.37
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
KDR P35968 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36

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
SCHEMBL2824333 0.90 CHEK2 (0.40) HTR2BHTR6MCHR1MELKHRH4
SCHEMBL2824266 0.90 HTR2B (0.45) HTR2BHTR6MCHR1HRH4HRH3
SCHEMBL2821886 0.85 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL2821597 0.85 MEN1 (0.38) MCHR1TRPV1PTGS2PTGS1NTSR1
SCHEMBL2821524 0.85 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL2823191 0.84 PTGS2 (0.37) PTGS2PTGS1
SCHEMBL2821147 0.82 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL2820850 0.82 HRH4 (0.36) HTR2BHTR6MCHR1TRPV1MELK
SCHEMBL2822518 0.80 PTGS2 (0.37) PTGS2PTGS1
SCHEMBL2825540 0.79 ALDH1A1 (0.39) MCHR1PTGS2PTGS1

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 10 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
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 HTR2B 84/4885HTR6 150/4885MCHR1 161/4885

“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.