SCHEMBL4171869

SCHEMBL4171869

COC(=O)c1ccc(-c2nnc(O[C@H](C)c3nnn(-c4cccc(Cl)c4)n3)n2C)cc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.66
KCNH2 Q12809 2/20 0.45
DGAT1 O75907 1/20 0.40
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
PKM P14618 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
SCHEMBL4172348 0.90 GRM5 (0.67) GRM5KCNH2DGAT1PKM
SCHEMBL4184538 0.88 GRM5 (0.59) GRM5KCNH2GAAMAPTTSHR
SCHEMBL4167366 0.86 GRM5 (0.71) GRM5KCNH2DGAT1PKM
SCHEMBL2895291 0.85 GRM5 (0.73) GRM5KCNH2MAPK1PKM
SCHEMBL2895780 0.85 GRM5 (0.73) GRM5KCNH2MAPK1PKM
SCHEMBL2895294 0.85 GRM5 (0.73) GRM5KCNH2MAPK1PKM
SCHEMBL2889851 0.83 GRM5 (0.71) GRM5KCNH2PKM
SCHEMBL5482144 0.83 GRM5 (0.71) GRM5KCNH2PKM
SCHEMBL5482911 0.81 GRM5 (0.71) GRM5KCNH2MAPT
SCHEMBL2895056 0.81 GRM5 (0.71) GRM5KCNH2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111857-A1 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
US-20090111857-A1 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111857-A1 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111857-A1 1,2,4-TRIAZOLE ETHER 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-20090111857-A1 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 GRM5 1/4885KCNH2 1573/4885DGAT1 1060/4885

“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.