SCHEMBL4172348

SCHEMBL4172348

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

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.67
KCNH2 Q12809 2/20 0.46
DGAT1 O75907 1/20 0.39
HSD11B1 P28845 1/20 0.38
PKM P14618 1/20 0.38
MAP4K4 O95819 1/20 0.37
ROCK2 O75116 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL4171869 0.90 GRM5 (0.66) GRM5KCNH2DGAT1PKM
SCHEMBL4180036 0.88 GRM5 (0.60) GRM5KCNH2PKMROCK2PIM1
SCHEMBL4167366 0.87 GRM5 (0.71) GRM5KCNH2DGAT1HSD11B1PKM
SCHEMBL2895294 0.86 GRM5 (0.73) GRM5KCNH2PKM
SCHEMBL2895780 0.86 GRM5 (0.73) GRM5KCNH2PKM
SCHEMBL2895291 0.86 GRM5 (0.73) GRM5KCNH2PKM
SCHEMBL5482144 0.83 GRM5 (0.71) GRM5KCNH2PKM
SCHEMBL2889851 0.83 GRM5 (0.71) GRM5KCNH2PKM
SCHEMBL5482911 0.82 GRM5 (0.71) GRM5KCNH2NPC1RAB9A
SCHEMBL2895056 0.82 GRM5 (0.71) GRM5KCNH2NPC1RAB9A

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-20090111857-A1 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
WO-2009054785-A1 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO 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.