SCHEMBL13312422

SCHEMBL13312422

CN1CCN(c2ccc3c(NCCN4CCOCC4)c(-c4ccccc4)cnc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 12/20 0.58
ACP1 P24666 1/20 0.46
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
RAD52 P43351 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
MET P08581 1/20 0.44

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
SCHEMBL13312412 0.90 TLR9 (0.66) TLR9KDM4ENPC1RAB9ALMNA
SCHEMBL13312424 0.84 RXFP1 (0.51) ACP1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL14259887 0.81 HRH3 (0.54) TLR9GLA
SCHEMBL13312480 0.80 TLR9 (0.84) TLR9ACP1LMNAKMT2A
SCHEMBL13312463 0.76 ACP1 (0.71) TLR9ACP1KDM4ELMNAPOLB
SCHEMBL13312411 0.75 KMT2A (0.53) TLR9ACP1KDM4ENPC1RAB9A
SCHEMBL14095300 0.73 TLR9 (1.00) TLR9ACP1LMNAKMT2ANPSR1
SCHEMBL14850990 0.71 TLR9 (0.59) TLR9ACP1KDM4ENPC1RAB9A
SCHEMBL14259846 0.70 TLR9 (0.68) TLR9ACP1LMNAKMT2A
SCHEMBL13312368 0.70 TLR9 (0.62) TLR9ACP1LMNAKMT2A

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-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 LIPFORD GRAYSON B 2010-06-24 US disclosed
US-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 LIPFORD GRAYSON B 2010-06-24 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-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 TLR9, TLR3, TLR1 TLR9 1/4885ACP1 176/4885KDM4E 2032/4885

“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.