SCHEMBL3531340

SCHEMBL3531340

CN(C)CC(=O)N1CCC(c2cccc(N)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 14/20 0.47
TLR8 Q9NR97 14/20 0.47
TLR7 Q9NYK1 14/20 0.47
SOS1 Q07889 1/20 0.43
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
QDPR P09417 1/20 0.41

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
SCHEMBL3527556 0.83 TLR7 (0.47) TLR9TLR8TLR7SOS1OPRM1
SCHEMBL2651932 0.82 QDPR (0.60) SOS1HRH3QDPR
SCHEMBL14320745 0.81 TLR8 (0.41) TLR9TLR8TLR7SOS1OPRM1
SCHEMBL4615095 0.80 NPC1 (0.45) HRH3QDPR
SCHEMBL3530693 0.80 TLR9 (0.48) TLR9TLR8TLR7
SCHEMBL520443 0.78 QDPR (0.53) TLR9TLR8TLR7QDPR
SCHEMBL1570024 0.77 TLR9 (0.43) TLR9TLR8TLR7OPRM1OPRK1
SCHEMBL16994796 0.76 TLR9 (0.51) TLR9TLR8TLR7
SCHEMBL14321103 0.76 ALDH1A1 (0.50) TLR9TLR8TLR7
SCHEMBL30376009 0.75 GPR119 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642270-B2 5-oxo-5,8-dihydro-pyrido-pyrimidine as inhibitors of c-fms kinase JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-05 US disclosed
US-20070060577-A1 5-Oxo-5,8-dihydro-pyrido-pyrimidines as inhibitors of c-fms kinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-15 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-20070060577-A1 5-Oxo-5,8-dihydro-pyrido-pyrimidines as inhibitors of c-fms kinase FLT3, FES, FGR TLR9 2412/4885TLR8 1749/4885TLR7 2411/4885

“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.