SCHEMBL4085913

SCHEMBL4085913

Cn1c(-c2ccn(C)c(=O)c2)nnc1N1CCC[C@@H]1c1cc(-c2csc(Cl)c2)on1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.42
GRM5 P41594 2/20 0.40
HSD11B1 P28845 2/20 0.35
DRD2 P14416 3/20 0.32
DRD3 P35462 3/20 0.32
KCNH2 Q12809 2/20 0.32
MDM2 Q00987 1/20 0.32
SCD5 Q86SK9 1/20 0.32
PIK3C3 Q8NEB9 3/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL2897984 0.87 GRM5 (0.55) SCDGRM5HCRTR1HCRTR2MAPT
SCHEMBL2898403 0.87 GRM5 (0.55) SCDGRM5HCRTR1HCRTR2MAPT
SCHEMBL4090072 0.87 MDM2 (0.33) SCDMDM2HCRTR1HCRTR2
SCHEMBL4084474 0.86 GRM5 (0.41) SCDGRM5HSD11B1DRD2DRD3
SCHEMBL2889894 0.86 SCD (0.47) SCDGRM5SCD5HCRTR1HCRTR2
SCHEMBL2889899 0.86 SCD (0.47) SCDGRM5SCD5HCRTR1HCRTR2
SCHEMBL3974922 0.83 GRM5 (0.40) GRM5KCNH2MDM2PIK3C3HRH3
SCHEMBL2899530 0.77 GRM5 (0.42) GRM5HCRTR1HCRTR2MAPT
SCHEMBL2899532 0.77 GRM5 (0.42) GRM5HCRTR1HCRTR2MAPT
SCHEMBL2897938 0.75 SCD (0.44) SCDGRM5SCD5HCRTR1HCRTR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
WO-2009054793-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO claimed
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 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-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 SCD 3004/4885GRM5 1/4885HSD11B1 3932/4885

“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.