SCHEMBL4084474

SCHEMBL4084474

Cn1c(-c2cc[nH]c(=O)c2)nnc1N1CCC[C@@H]1c1cc(-c2csc(Cl)c2)on1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.41
MDM2 Q00987 2/20 0.33
DRD2 P14416 8/20 0.33
DRD3 P35462 8/20 0.33
PIK3C3 Q8NEB9 2/20 0.33
KCNH2 Q12809 2/20 0.33
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
DRD4 P21917 1/20 0.32
CPT1A P50416 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
HSD11B1 P28845 1/20 0.31
SCD O00767 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
SCHEMBL2897662 0.87 GRM5 (0.55) GRM5HCRTR1HCRTR2
SCHEMBL2897665 0.87 GRM5 (0.55) GRM5HCRTR1HCRTR2
SCHEMBL3974922 0.87 GRM5 (0.40) GRM5MDM2PIK3C3KCNH2
SCHEMBL4085913 0.86 SCD (0.42) GRM5MDM2DRD2DRD3PIK3C3
SCHEMBL2890599 0.86 GRM5 (0.46) GRM5DRD2DRD3PIK3C3CPT1A
SCHEMBL2890593 0.86 GRM5 (0.46) GRM5DRD2DRD3PIK3C3CPT1A
SCHEMBL2899231 0.84 GRM5 (0.41) GRM5DRD2DRD3PIK3C3KCNH2
SCHEMBL2899224 0.84 GRM5 (0.41) GRM5DRD2DRD3PIK3C3KCNH2
SCHEMBL2896453 0.84 GRM5 (0.44) GRM5DRD2DRD3KCNH2HCRTR1
SCHEMBL2896447 0.84 GRM5 (0.44) GRM5DRD2DRD3KCNH2HCRTR1

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 GRM5 1/4885MDM2 4831/4885DRD2 224/4885

“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.