SCHEMBL3961869

SCHEMBL3961869

Cn1c(-c2cccnc2)nnc1N1CCCC[C@@H]1c1nnn(-c2cccc(Cl)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL3961132 1.00 GRM5 (0.43) GRM5GPBAR1KDM4EALDH1A1GAA
SCHEMBL4074105 1.00 GRM5 (0.43) GRM5GPBAR1KDM4EALDH1A1GAA
SCHEMBL4217061 0.97 GRM5 (0.44) GRM5MEN1KMT2ANPSR1
SCHEMBL5463045 0.91 GRM5 (0.45) GRM5
SCHEMBL5482941 0.91 GRM5 (0.45) GRM5
SCHEMBL5463053 0.91 GRM5 (0.45) GRM5
SCHEMBL2897858 0.89 GRM5 (0.43) GRM5
SCHEMBL2897849 0.89 GRM5 (0.43) GRM5
SCHEMBL5628465 0.88 CHRNB2 (0.52) GRM5
SCHEMBL2894551 0.87 GRM5 (0.44) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101437798-A Mglur5 modulators II ASTRAZENECA AB (SE) 2009-05-20 CN claimed
US-20090111854-A1 1,2,4-TRIAZOLE ARYL N-OXIDES DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
EP-2027090-A2 MGLUR5 MODULATORS II AstraZeneca AB (SE) 2009-02-25 EP claimed
WO-2007130821-A2 MGLUR5 MODULATORS II ASTRAZENECA AB (SE) 2007-11-15 WO claimed
US-20070259916-A1 mGluR5 modulators II ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-20090111854-A1 1,2,4-TRIAZOLE ARYL N-OXIDES DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111854-A1 1,2,4-TRIAZOLE ARYL N-OXIDES DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111854-A1 1,2,4-TRIAZOLE ARYL N-OXIDES DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
WO-2007130821-A2 MGLUR5 MODULATORS II ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
US-20070259916-A1 mGluR5 modulators II ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259916-A1 mGluR5 modulators II ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259916-A1 mGluR5 modulators II ASTRAZENECA AB (SE) 2007-11-08 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 (2 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-20090111854-A1 1,2,4-TRIAZOLE ARYL N-OXIDES DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 GRM5 1/4885GPBAR1 110/4885KDM4E 1583/4885
US-20070259916-A1 mGluR5 modulators II GRM5, GRM2, GRIK5 GRM5 1/4885GPBAR1 111/4885KDM4E 1827/4885

“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.