SCHEMBL3670055

SCHEMBL3670055

CC(=O)N1CCc2sc(-c3ccc(O)cc3)nc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
DPP4 P27487 6/20 0.47
DPP8 Q6V1X1 6/20 0.47
DPP9 Q86TI2 6/20 0.47
DPP7 Q9UHL4 6/20 0.47
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
GRM5 P41594 1/20 0.43
KMT2A Q03164 2/20 0.39
NOTUM Q6P988 1/20 0.38
QDPR P09417 1/20 0.38
GRIA1 P42261 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 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
SCHEMBL3664573 0.90 NPC1 (0.60) NPC1RAB9ADPP4DPP8DPP9
SCHEMBL15166579 0.83 ESR2 (0.50) NPC1RAB9ADPP4DPP8DPP9
SCHEMBL3674626 0.82 NPC1 (0.50) NPC1RAB9ADPP4DPP8DPP9
SCHEMBL15164317 0.81 BRD4 (0.45) NPC1RAB9ADPP4DPP8DPP9
SCHEMBL3582423 0.81 NPC1 (0.43) NPC1RAB9ADPP4DPP8DPP9
SCHEMBL18711323 0.79 NPC1 (0.59) NPC1RAB9ADPP4DPP8DPP9
SCHEMBL18711737 0.79 RAB9A (0.59) NPC1RAB9ADPP4DPP8DPP9
SCHEMBL18711329 0.77 NPC1 (0.60) NPC1RAB9ADPP4DPP8DPP9
SCHEMBL3669354 0.76 HRH3 (0.49) NPC1RAB9ADPP4DPP8DPP9
SCHEMBL3669355 0.76 HRH3 (0.49) NPC1RAB9ADPP4DPP8DPP9

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 NPC1 162/4885RAB9A 1553/4885DPP4 897/4885

“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.