SCHEMBL13677002

SCHEMBL13677002

CC1CCN(c2c(S(=O)(=O)c3ccc(F)cc3)cnc3ccc(Cl)cc23)CC1

nearest known ligand 0.88

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.88
HTR1A P08908 1/20 0.62
HTR2A P28223 1/20 0.62
HTR7 P34969 1/20 0.62
HTR6 P50406 1/20 0.62
CES2 O00748 1/20 0.61
THRB P10828 1/20 0.60
TP53 P04637 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
SSTR2 P30874 1/20 0.49
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL13676955 0.94 GRM5 (0.85) GRM5HTR1AHTR2AHTR7HTR6
SCHEMBL3830983 0.94 GRM5 (1.00) GRM5HTR1AHTR2AHTR7HTR6
SCHEMBL3835441 0.92 GRM5 (0.85) GRM5HTR1AHTR2AHTR7HTR6
SCHEMBL3835520 0.92 GRM5 (0.85) GRM5HTR1AHTR2AHTR7HTR6
SCHEMBL13676958 0.92 GRM5 (0.81) GRM5HTR1AHTR2AHTR7HTR6
SCHEMBL13677012 0.91 GRM5 (0.83) GRM5HTR1AHTR2AHTR7HTR6
SCHEMBL3834114 0.91 GRM5 (0.90) GRM5HTR1AHTR2AHTR7HTR6
SCHEMBL3831682 0.91 GRM5 (0.79) GRM5HTR1AHTR2AHTR7HTR6
SCHEMBL13677003 0.90 GRM5 (0.82) GRM5HTR1AHTR2AHTR7HTR6
SCHEMBL13676946 0.90 GRM5 (0.88) GRM5HTR1AHTR2AHTR7HTR6

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 1/4885HTR1A 63/4885HTR2A 74/4885

“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.