SCHEMBL3835269

SCHEMBL3835269

O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccccc2c1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.64
GRM5 P41594 5/20 0.64
BCHE P06276 8/20 0.60
SMN1; SMN2 Q16637 1/20 0.57
HTR1A P08908 1/20 0.52
HTR2A P28223 1/20 0.52
HTR7 P34969 1/20 0.52
HTR6 P50406 1/20 0.52

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
SCHEMBL13676941 0.94 GRM5 (0.72) THRBGRM5BCHE
SCHEMBL13676943 0.91 GRM5 (0.62) THRBGRM5BCHE
SCHEMBL8239115 0.88 THRB (0.66) THRBGRM5BCHEHTR1AHTR2A
SCHEMBL8232971 0.86 ALDH1A1 (0.69) THRBGRM5SMN1; SMN2HTR1AHTR2A
SCHEMBL8231576 0.86 GRM5 (0.81) THRBGRM5SMN1; SMN2HTR1AHTR2A
SCHEMBL3831330 0.86 GRM5 (0.81) THRBGRM5SMN1; SMN2HTR1AHTR2A
SCHEMBL8240607 0.85 GRM5 (0.65) THRBGRM5SMN1; SMN2HTR1AHTR2A
SCHEMBL8241041 0.83 THRB (0.64) THRBGRM5BCHEHTR1AHTR2A
SCHEMBL8238178 0.83 GRM5 (0.72) THRBGRM5SMN1; SMN2HTR1AHTR2A
SCHEMBL8242932 0.82 THRB (0.68) THRBGRM5BCHEHTR1AHTR2A

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
US-20090270371-A1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS RICHTER GEDEON NYRT. (HU) 2009-10-29 US claimed
EP-1962849-B1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS RICHTER GEDEON NYRT (HU) 2009-09-30 EP claimed
CN-101346141-A Quinoline derivatives useful in the treatment of MGLUR5 receptor-mediated disorders RICHTER GEDEON NYRT (HU) 2009-01-14 CN claimed
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
US-20090270371-A1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS RICHTER GEDEON NYRT. (HU) 2009-10-29 US disclosed
EP-1962849-B1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS RICHTER GEDEON NYRT (HU) 2009-09-30 EP disclosed
EP-1962849-B1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS RICHTER GEDEON NYRT (HU) 2009-09-30 EP disclosed
CN-101346141-A Quinoline derivatives useful in the treatment of MGLUR5 receptor-mediated disorders RICHTER GEDEON NYRT (HU) 2009-01-14 CN 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 1/4885BCHE 1546/4885

“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.