SCHEMBL3746288

SCHEMBL3746288

CC(=O)N1CCc2nc(-c3ccc(OC4CC(N5CCCCC5)C4)c(F)c3F)sc2C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
GRM5 P41594 1/20 0.39
GPR6 P46095 15/20 0.38
OGA O60502 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL3746292 1.00 TLR8 (0.41) TLR8TLR7GRM5GPR6OGA
SCHEMBL3665959 0.86 TLR8 (0.49) TLR8TLR7GPR6NPC1RAB9A
SCHEMBL3670942 0.86 TLR8 (0.42) TLR8TLR7GRM5GPR6OGA
SCHEMBL3670944 0.86 TLR8 (0.42) TLR8TLR7GRM5GPR6OGA
SCHEMBL3665961 0.86 TLR8 (0.49) TLR8TLR7GPR6NPC1RAB9A
SCHEMBL3759005 0.82 GRM5 (0.47) TLR8TLR7GRM5OGANPC1
SCHEMBL3665906 0.81 HRH3 (0.49) TLR8TLR7GRM5OGANPC1
SCHEMBL3664942 0.81 HRH3 (0.49) TLR8TLR7GRM5OGANPC1
SCHEMBL3664945 0.81 HRH3 (0.49) TLR8TLR7GRM5OGANPC1
SCHEMBL3665904 0.81 HRH3 (0.49) TLR8TLR7GRM5OGANPC1

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-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US claimed
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 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-20100292188-A1 Compounds Comprising A Cyclobutoxy Group CYP11B2, CYP11B1, CYP4B1 TLR8 4686/4885TLR7 3431/4885GRM5 2077/4885

“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.