SCHEMBL3831325

SCHEMBL3831325

Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2N2CCOCC2)cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 1.00
LMNA P02545 3/20 0.60
TP53 P04637 1/20 0.60
MAPT P10636 2/20 0.54
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
ALDH1A1 P00352 5/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 2/20 0.48
HSP90AA1 P07900 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
THRB P10828 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CES2 O00748 1/20 0.45

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
Hydrochloric Acid SCHEMBL3834927 0.99 GRM5 (0.98) GRM5LMNATP53MAPTCRHBP
SCHEMBL8239118 0.88 GRM5 (0.78) GRM5LMNATP53MAPTALDH1A1
SCHEMBL13676935 0.87 GRM5 (0.76) GRM5LMNATP53MAPTALDH1A1
SCHEMBL4710384 0.87 GRM5 (0.76) GRM5LMNATP53MAPTALDH1A1
SCHEMBL13677097 0.87 GRM5 (0.76) GRM5LMNATP53MAPTALDH1A1
SCHEMBL3832192 0.86 GRM5 (0.77) GRM5LMNATP53MAPTALDH1A1
Hydrochloric Acid SCHEMBL3830982 0.85 GRM5 (0.75) GRM5LMNATP53MAPTALDH1A1
SCHEMBL8238178 0.84 GRM5 (0.72) GRM5LMNAMAPTALDH1A1HPGD
SCHEMBL13677050 0.81 GRM5 (0.67) GRM5LMNATP53MAPTALDH1A1
SCHEMBL4711137 0.81 GRM5 (0.67) GRM5LMNATP53MAPTALDH1A1

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 12 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
EP-1962849-A1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS Richter Gedeon NYRT (HU) 2008-09-03 EP disclosed
WO-2007072093-A1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS RICHTER GEDEON NYRT. (HU) 2007-06-28 WO 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 GRM5 1/4885LMNA 3617/4885TP53 4885/4885

“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.