SCHEMBL4172582

SCHEMBL4172582

C[C@@H](Oc1nnc(-c2ccc(Br)cn2)n1C)c1nnn(-c2cccc(Cl)c2)n1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.64
KCNH2 Q12809 2/20 0.42
PKM P14618 1/20 0.31
APLNR P35414 1/20 0.31
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL4162387 0.91 GRM5 (0.62) GRM5KCNH2
SCHEMBL4180036 0.86 GRM5 (0.60) GRM5KCNH2PKM
SCHEMBL4184538 0.85 GRM5 (0.59) GRM5KCNH2GAATSHR
SCHEMBL2895291 0.81 GRM5 (0.73) GRM5KCNH2PKM
SCHEMBL2895780 0.81 GRM5 (0.73) GRM5KCNH2PKM
SCHEMBL2895294 0.81 GRM5 (0.73) GRM5KCNH2PKM
SCHEMBL5482911 0.80 GRM5 (0.71) GRM5KCNH2
SCHEMBL2895056 0.80 GRM5 (0.71) GRM5KCNH2
SCHEMBL5482144 0.80 GRM5 (0.71) GRM5KCNH2PKM
SCHEMBL2889851 0.80 GRM5 (0.71) 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 3 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 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.