SCHEMBL3672489

SCHEMBL3672489

CN(C)C1CCN([C@H]2C[C@H](Oc3ccc(-c4nc5c(s4)CNCC5)cc3)C2)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
TLR8 Q9NR97 1/20 0.38
PDCD1 Q15116 8/20 0.35
CD274 Q9NZQ7 8/20 0.35
HRH3 Q9Y5N1 3/20 0.34
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
MCHR1 Q99705 1/20 0.30
OGA O60502 1/20 0.30

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
SCHEMBL3672486 1.00 TLR9 (0.38) TLR9TLR7TLR8PDCD1CD274
SCHEMBL3670078 0.83 HRH3 (0.41) TLR9TLR7TLR8PDCD1CD274
SCHEMBL3670077 0.83 HRH3 (0.41) TLR9TLR7TLR8PDCD1CD274
SCHEMBL3668166 0.83 HRH3 (0.48) TLR9TLR7TLR8PDCD1CD274
SCHEMBL3668162 0.83 HRH3 (0.48) TLR9TLR7TLR8PDCD1CD274
SCHEMBL3667209 0.81 TLR8 (0.43) TLR9TLR7TLR8HRH3MCHR1
SCHEMBL3667211 0.81 TLR8 (0.43) TLR9TLR7TLR8HRH3MCHR1
SCHEMBL3667320 0.81 TLR8 (0.43) TLR9TLR7TLR8HRH3MCHR1
SCHEMBL3667314 0.81 TLR8 (0.43) TLR9TLR7TLR8HRH3MCHR1
SCHEMBL3667205 0.79 TLR9 (0.38) TLR9TLR7TLR8PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
EP-2238144-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma, S.A. (BE) 2010-10-13 EP disclosed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 WO disclosed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 WO 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-20100292188-A1 Compounds Comprising A Cyclobutoxy Group CYP11B2, CYP11B1, CYP4B1 TLR9 4728/4885TLR7 3431/4885TLR8 4686/4885

“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.