SCHEMBL8239115

SCHEMBL8239115

O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccc(F)cc2c1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.66
GRM5 P41594 6/20 0.56
HTR1A P08908 2/20 0.54
HTR2A P28223 2/20 0.54
HTR7 P34969 2/20 0.54
HTR6 P50406 2/20 0.54
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 3/20 0.49
HSP90AA1 P07900 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PIK3CA P42336 1/20 0.49
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
BCHE P06276 1/20 0.48
TP53 P04637 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
SCHEMBL13676928 0.94 THRB (0.65) THRBGRM5HTR1AHTR2AHTR7
SCHEMBL3835269 0.88 THRB (0.64) THRBGRM5HTR1AHTR2AHTR7
SCHEMBL8232971 0.86 ALDH1A1 (0.69) THRBGRM5HTR1AHTR2AHTR7
SCHEMBL8241041 0.84 THRB (0.64) THRBGRM5HTR1AHTR2AHTR7
SCHEMBL8242932 0.83 THRB (0.68) THRBGRM5HTR1AHTR2AHTR7
SCHEMBL8239063 0.82 GRM5 (0.62) THRBGRM5HTR1AHTR2AHTR7
SCHEMBL13676941 0.82 GRM5 (0.72) THRBGRM5ALDH1A1HPGDLMNA
SCHEMBL8238195 0.82 THRB (0.69) THRBGRM5HTR1AHTR2AHTR7
SCHEMBL8238801 0.82 THRB (0.82) THRBGRM5HTR1AHTR2AHTR7
SCHEMBL13677121 0.82 GRM5 (0.61) THRBGRM5HTR1AHTR2AHTR7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270371-A1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS RICHTER GEDEON NYRT. (HU) 2009-10-29 US disclosed
US-20090270371-A1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS RICHTER GEDEON NYRT. (HU) 2009-10-29 US disclosed
WO-2007072093-A1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS RICHTER GEDEON NYRT. (HU) 2007-06-28 WO 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-20090270371-A1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS GRM5, GRIK5, GRM1 THRB 670/4885GRM5 1/4885HTR1A 63/4885

“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.