SCHEMBL5481037

SCHEMBL5481037

O=c1cc(-c2nnc3n2CCCN3CCc2cc(-c3cccc(Cl)c3)on2)nc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
TP53 P04637 2/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAOB P27338 1/20 0.35
ADORA2A P29274 1/20 0.35
CXCR1 P25024 1/20 0.35
HSD11B1 P28845 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM5B Q9UGL1 1/20 0.33

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
SCHEMBL5481033 0.81 GRM5 (0.46) GRM5NPC1RAB9ATP53THRB
SCHEMBL5478271 0.75 GRM5 (0.52) GRM5NPC1RAB9ATP53THRB
SCHEMBL2896283 0.74 GRM5 (0.42) GRM5NPC1RAB9ATP53THRB
SCHEMBL2896290 0.74 GRM5 (0.42) GRM5NPC1RAB9ATP53THRB
SCHEMBL2914059 0.73 GRM5 (0.40) GRM5NPC1RAB9ATP53THRB
SCHEMBL5479876 0.72 NPC1 (0.42) NPC1RAB9ATP53THRBALDH1A1
SCHEMBL2920741 0.71 GRM5 (0.38) GRM5NPC1RAB9ATP53THRB
SCHEMBL4329337 0.71 NPC1 (0.44) NPC1RAB9ATP53THRBALDH1A1
SCHEMBL4329036 0.70 NPC1 (0.43) NPC1RAB9ATP53THRBALDH1A1
SCHEMBL5483579 0.70 NPC1 (0.41) NPC1RAB9ATP53THRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.