SCHEMBL4167366

SCHEMBL4167366

C[C@@H](Oc1nnc(-c2ccc(I)cc2)n1C)c1nnn(-c2cccc(Cl)c2)n1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.71
KCNH2 Q12809 2/20 0.49
PKM P14618 1/20 0.35
HSD11B1 P28845 3/20 0.34
DGAT1 O75907 1/20 0.33

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
SCHEMBL2895291 0.89 GRM5 (0.73) GRM5KCNH2PKM
SCHEMBL2895780 0.89 GRM5 (0.73) GRM5KCNH2PKM
SCHEMBL2895294 0.89 GRM5 (0.73) GRM5KCNH2PKM
SCHEMBL4172348 0.87 GRM5 (0.67) GRM5KCNH2PKMHSD11B1DGAT1
SCHEMBL2889851 0.86 GRM5 (0.71) GRM5KCNH2PKM
SCHEMBL5482144 0.86 GRM5 (0.71) GRM5KCNH2PKM
SCHEMBL4171869 0.86 GRM5 (0.66) GRM5KCNH2PKMDGAT1
SCHEMBL5482911 0.85 GRM5 (0.71) GRM5KCNH2
SCHEMBL2895056 0.85 GRM5 (0.71) GRM5KCNH2
SCHEMBL2962508 0.84 GRM5 (0.73) GRM5KCNH2PKM

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 1573/4885PKM 1853/4885

“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.