SCHEMBL3833745

SCHEMBL3833745

O=S(=O)(c1ccccc1)c1cnc2ccccc2c1N1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 1.00
ALDH1A1 P00352 6/20 0.57
HPGD P15428 1/20 0.57
LMNA P02545 4/20 0.56
HTT P42858 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
HSP90AA1 P07900 1/20 0.56
MAPT P10636 1/20 0.56
THRB P10828 1/20 0.56
NPSR1 Q6W5P4 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 2/20 0.56
CES2 O00748 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HTR1A P08908 1/20 0.53
HTR2A P28223 1/20 0.53
HTR7 P34969 1/20 0.53
HTR6 P50406 1/20 0.53
ADRB2 P07550 1/20 0.53
MAPK1 P28482 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
SCHEMBL3831787 1.00 GRM5 (1.00) GRM5ALDH1A1HPGDLMNAHTT
SCHEMBL3834057 0.90 GRM5 (0.81) GRM5ALDH1A1HPGDLMNAHTT
SCHEMBL8231576 0.90 GRM5 (0.81) GRM5ALDH1A1HPGDLMNAHTT
SCHEMBL3831330 0.90 GRM5 (0.81) GRM5ALDH1A1HPGDLMNAHTT
SCHEMBL3831244 0.90 GRM5 (0.81) GRM5ALDH1A1HPGDLMNAHTT
SCHEMBL3832692 0.86 GRM5 (1.00) GRM5ALDH1A1HPGDLMNAHTT
SCHEMBL8242084 0.85 GRM5 (0.74) GRM5ALDH1A1HPGDLMNAHTT
SCHEMBL8241560 0.85 GRM5 (0.74) GRM5ALDH1A1HPGDLMNAHTT
SCHEMBL13676941 0.84 GRM5 (0.72) GRM5ALDH1A1HPGDLMNAHTT
SCHEMBL13676934 0.84 THRB (0.78) GRM5ALDH1A1HPGDLMNAHTT

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 GRM5 1/4885ALDH1A1 2356/4885HPGD 1084/4885

“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.