SCHEMBL5485025

SCHEMBL5485025

C[C@H](c1cc(-c2cccc(Cl)c2)on1)N1CCCn2c(-c3ccn(C)c(=O)c3)nnc21

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.61
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 3/20 0.38
THRB P10828 1/20 0.38
SCD O00767 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL5481097 0.85 GRM5 (0.60) GRM5NPC1RAB9AALDH1A1TP53
SCHEMBL4222892 0.82 TP53 (0.43) GRM5NPC1RAB9AALDH1A1TP53
SCHEMBL4232390 0.82 GRM5 (0.60) GRM5NPC1RAB9AALDH1A1TP53
SCHEMBL5488373 0.82 GRM5 (0.42) GRM5NPC1RAB9AALDH1A1TP53
SCHEMBL14363432 0.82 GRM5 (0.60) GRM5NPC1RAB9AALDH1A1TP53
SCHEMBL8234009 0.82 GRM5 (0.42) GRM5NPC1RAB9AALDH1A1TP53
SCHEMBL5481033 0.81 GRM5 (0.46) GRM5NPC1RAB9AALDH1A1TP53
SCHEMBL5482685 0.78 GRM5 (0.40) GRM5NPC1RAB9AALDH1A1TP53
SCHEMBL14363430 0.78 GRM5 (0.40) GRM5NPC1RAB9AALDH1A1TP53
SCHEMBL2959556 0.76 GRM5 (1.00) GRM5NPC1RAB9AALDH1A1TP53

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-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US claimed
WO-2007130824-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 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-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 GRM5 1/4885NPC1 934/4885RAB9A 854/4885

“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.