SCHEMBL13871103

SCHEMBL13871103

Cc1cccc(-c2cc(C3C[C@H]4C[C@H]4N3c3nnc(-c4ccn(C)c(=O)c4)n3C)no2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.44
SCD O00767 1/20 0.38
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
BACE1 P56817 2/20 0.32
HSD17B13 Q7Z5P4 1/20 0.32
DRD2 P14416 3/20 0.31
DRD3 P35462 3/20 0.31
KCNH2 Q12809 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL4107029 1.00 GRM5 (0.44) GRM5SCDHCRTR1HCRTR2BACE1
SCHEMBL4107167 0.93 GRM5 (0.54) GRM5SCDNPC1RAB9A
SCHEMBL4097151 0.84 GRM5 (0.54) GRM5HCRTR1HCRTR2NPC1RAB9A
SCHEMBL4106857 0.83 GRM5 (0.36) GRM5HCRTR1HCRTR2BACE1NPC1
SCHEMBL2889894 0.82 SCD (0.47) GRM5SCDHCRTR1HCRTR2HSD17B13
SCHEMBL2889899 0.82 SCD (0.47) GRM5SCDHCRTR1HCRTR2HSD17B13
SCHEMBL4109612 0.80 GRM5 (0.31) GRM5HCRTR1HCRTR2
SCHEMBL4101451 0.79 GRM5 (0.55) GRM5DRD2DRD3KCNH2NPC1
SCHEMBL4102874 0.77 GRM5 (0.55) GRM5NPC1RAB9A
SCHEMBL4106727 0.76 NPC1 (0.41) GRM5NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111820-A1 FUSED PYRROLIDINE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111820-A1 FUSED PYRROLIDINE 1,2,4-TRIAZOLE 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-20090111820-A1 FUSED PYRROLIDINE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 GRM5 1/4885SCD 3500/4885HCRTR1 816/4885

“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.