SCHEMBL3754115

SCHEMBL3754115

CC(=O)N1CCc2nc(-c3c(F)cc(O)cc3F)sc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.48
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
DPP4 P27487 6/20 0.43
DPP8 Q6V1X1 6/20 0.43
DPP9 Q86TI2 6/20 0.43
DPP7 Q9UHL4 6/20 0.43
OGA O60502 1/20 0.41
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
HCAR1 Q9BXC0 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
SCHEMBL3752249 0.87 GRM5 (0.46) GRM5TLR8TLR7NPC1RAB9A
SCHEMBL3666376 0.86 GRM5 (0.45) GRM5TLR8TLR7NPC1RAB9A
SCHEMBL3667162 0.85 GRM5 (0.48) GRM5TLR8TLR7NPC1RAB9A
SCHEMBL3672530 0.81 TLR8 (0.55) GRM5TLR8TLR7NPC1RAB9A
SCHEMBL3664573 0.79 NPC1 (0.60) GRM5TLR8TLR7NPC1RAB9A
SCHEMBL18711323 0.78 NPC1 (0.59) GRM5TLR8TLR7NPC1RAB9A
SCHEMBL3750626 0.78 TLR8 (0.41) GRM5TLR8TLR7NPC1RAB9A
SCHEMBL3750624 0.78 TLR8 (0.41) GRM5TLR8TLR7NPC1RAB9A
SCHEMBL3746313 0.77 GRM5 (0.49) GRM5TLR8TLR7NPC1RAB9A
SCHEMBL3672513 0.76 TLR8 (0.53) GRM5TLR8TLR7NPC1RAB9A

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 1 patent. 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

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 GRM5 2077/4885TLR8 4686/4885TLR7 3431/4885

“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.