SCHEMBL4113254

SCHEMBL4113254

Cn1c(-c2ccn(C)c(=O)c2)nnc1N1C[C@H]2C[C@H]2[C@@H]1c1cc(-c2cccc(Cl)c2)on1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.53
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 3/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
ALDH1A1 P00352 1/20 0.35
SCD O00767 1/20 0.34
THRB P10828 1/20 0.33
DRD2 P14416 3/20 0.32
DRD3 P35462 3/20 0.32
KCNH2 Q12809 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL4109012 0.84 GRM5 (0.54) GRM5SMN1; SMN2TP53NPC1RAB9A
SCHEMBL2898403 0.82 GRM5 (0.55) GRM5SMN1; SMN2TP53NPC1RAB9A
SCHEMBL2897984 0.82 GRM5 (0.55) GRM5SMN1; SMN2TP53NPC1RAB9A
SCHEMBL4107167 0.82 GRM5 (0.54) GRM5SMN1; SMN2TP53NPC1RAB9A
SCHEMBL4536741 0.75 SMN1; SMN2 (0.46) GRM5SMN1; SMN2TP53NPC1RAB9A
SCHEMBL2889899 0.74 SCD (0.47) GRM5SCD
SCHEMBL2889894 0.74 SCD (0.47) GRM5SCD
SCHEMBL4107029 0.74 GRM5 (0.44) GRM5NPC1RAB9ASCDDRD2
SCHEMBL13871103 0.74 GRM5 (0.44) GRM5NPC1RAB9ASCDDRD2
SCHEMBL2899532 0.72 GRM5 (0.42) GRM5SMN1; SMN2TP53NPC1RAB9A

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-20090111820-A1 FUSED PYRROLIDINE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
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 1/4885SMN1; SMN2 2221/4885TP53 4876/4885

“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.