SCHEMBL13677019

SCHEMBL13677019

CC1CCN(c2c(S(=O)(=O)c3ccccc3)cnc3c(F)cccc23)CC1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.71
CES2 O00748 1/20 0.59
ADRB2 P07550 1/20 0.47
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL13677018 0.93 GRM5 (0.61) GRM5CES2ADRB2HTR6TP53
SCHEMBL3832229 0.92 GRM5 (0.60) GRM5CES2TP53
SCHEMBL13677021 0.91 GRM5 (0.70) GRM5CES2HTR2AHTR6
SCHEMBL13677020 0.91 GRM5 (0.66) GRM5CES2HTR1AHTR2AHTR7
SCHEMBL13677017 0.90 GRM5 (0.65) GRM5CES2ADRB2
SCHEMBL3831773 0.89 CES2 (0.62) GRM5CES2ADRB2ALDH1A1HPGD
SCHEMBL3835283 0.89 GRM5 (0.59) GRM5CES2HTR1AHTR2AHTR7
SCHEMBL3836518 0.89 GRM5 (0.57) GRM5CES2HTR1AHTR2AHTR7
SCHEMBL13677022 0.88 GRM5 (0.56) GRM5CES2
SCHEMBL13677015 0.88 GRM5 (0.60) GRM5CES2HTR1AHTR2AHTR7

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 2 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

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 1/4885CES2 791/4885ADRB2 239/4885

“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.