SCHEMBL3746313

SCHEMBL3746313

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
OGA O60502 1/20 0.43
DPP4 P27487 5/20 0.39
DPP8 Q6V1X1 5/20 0.39
DPP9 Q86TI2 5/20 0.39
DPP7 Q9UHL4 5/20 0.39
KMT2A Q03164 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
SCHEMBL3759005 0.86 GRM5 (0.47) GRM5NPC1RAB9ATLR8TLR7
SCHEMBL3668746 0.85 GRM5 (0.46) GRM5NPC1RAB9ATLR8TLR7
SCHEMBL3667162 0.83 GRM5 (0.48) GRM5NPC1RAB9ATLR8TLR7
SCHEMBL3672530 0.81 TLR8 (0.55) GRM5NPC1RAB9ATLR8TLR7
SCHEMBL18711323 0.79 NPC1 (0.59) GRM5NPC1RAB9ATLR8TLR7
SCHEMBL3671060 0.78 GRM5 (0.45) GRM5NPC1RAB9ATLR8TLR7
SCHEMBL3664573 0.77 NPC1 (0.60) GRM5NPC1RAB9ATLR8TLR7
SCHEMBL18711325 0.77 GRM5 (0.57) GRM5NPC1RAB9ATLR8TLR7
SCHEMBL3754115 0.77 GRM5 (0.48) GRM5NPC1RAB9ATLR8TLR7
SCHEMBL3746292 0.77 TLR8 (0.41) GRM5NPC1RAB9ATLR8TLR7

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 2077/4885NPC1 162/4885RAB9A 1553/4885

“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.