SCHEMBL4101451

SCHEMBL4101451

Cn1c(-c2cc[nH]c(=O)c2)nnc1N1[C@@H](c2cc(-c3cccc(Cl)c3)on2)C[C@H]2C[C@H]21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.55
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 3/20 0.34
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
THRB P10828 1/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
KCNH2 Q12809 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
SCHEMBL4102874 0.88 GRM5 (0.55) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4230162 0.87 GRM5 (0.40) GRM5DRD2DRD3KCNH2
SCHEMBL4107167 0.86 GRM5 (0.54) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2897662 0.83 GRM5 (0.55) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2897665 0.83 GRM5 (0.55) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4106727 0.82 NPC1 (0.41) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4106857 0.82 GRM5 (0.36) GRM5NPC1RAB9AMAPT
SCHEMBL4097151 0.82 GRM5 (0.54) GRM5NPC1RAB9A
SCHEMBL13871103 0.79 GRM5 (0.44) GRM5NPC1RAB9ADRD2DRD3
SCHEMBL4107029 0.79 GRM5 (0.44) GRM5NPC1RAB9ADRD2DRD3

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
WO-2009054791-A1 FUSED PYRROLIDINE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO 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 2221/4885NPC1 2412/4885

“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.