SCHEMBL5485017

SCHEMBL5485017

COc1cc(-c2nnc3n2CCCCN3Cc2cc(-c3cccc(Cl)c3)on2)nc(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TP53 P04637 3/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
CXCR1 P25024 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
KCNH2 Q12809 1/20 0.34
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33
APH1B Q8WW43 3/20 0.33
NCSTN Q92542 3/20 0.33
APH1A Q96BI3 3/20 0.33
PSENEN Q9NZ42 3/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM5 P41594 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 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
SCHEMBL5482514 0.89 PSEN1 (0.38) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL4330936 0.84 PSEN1 (0.45) NPC1RAB9ATP53THRBALDH1A1
SCHEMBL5478173 0.82 PSEN1 (0.39) NPC1RAB9ATP53THRBALDH1A1
SCHEMBL4329337 0.80 NPC1 (0.44) NPC1RAB9ATP53THRBALDH1A1
SCHEMBL4329036 0.79 NPC1 (0.43) NPC1RAB9ATP53THRBALDH1A1
SCHEMBL5491712 0.78 NPC1 (0.41) NPC1RAB9ATP53THRBALDH1A1
SCHEMBL5483579 0.78 NPC1 (0.41) NPC1RAB9ATP53THRBALDH1A1
SCHEMBL5479876 0.78 NPC1 (0.42) NPC1RAB9ATP53THRBALDH1A1
SCHEMBL4223764 0.76 PSEN1 (0.37) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL2899397 0.76 SMN1; SMN2 (0.37) 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 4 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
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 NPC1 934/4885RAB9A 854/4885TP53 4883/4885

“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.