SCHEMBL3665455

SCHEMBL3665455

O=C(O)COCC(=O)N1CCc2nc(-c3ccc(OC4CC(N5CCCCC5)C4)cc3)sc2C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HRH3 Q9Y5N1 5/20 0.42
DPP4 P27487 5/20 0.40
DPP8 Q6V1X1 5/20 0.40
DPP7 Q9UHL4 5/20 0.40
DPP9 Q86TI2 4/20 0.40
ACHE P22303 1/20 0.38
TLR8 Q9NR97 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
TLR9 Q9NR96 1/20 0.37
KMT2A Q03164 1/20 0.35
GRM5 P41594 2/20 0.35
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34

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
SCHEMBL3665458 1.00 NPC1 (0.48) NPC1RAB9AHRH3DPP4DPP8
SCHEMBL3671131 0.91 NPC1 (0.49) NPC1RAB9AHRH3DPP4DPP8
SCHEMBL3671129 0.91 NPC1 (0.49) NPC1RAB9AHRH3DPP4DPP8
SCHEMBL3668581 0.90 NPC1 (0.49) NPC1RAB9AHRH3DPP4DPP8
SCHEMBL3668579 0.90 NPC1 (0.49) NPC1RAB9AHRH3DPP4DPP8
SCHEMBL3668774 0.88 NPC1 (0.48) NPC1RAB9AHRH3DPP4DPP8
SCHEMBL3668773 0.88 NPC1 (0.48) NPC1RAB9AHRH3DPP4DPP8
SCHEMBL3666173 0.88 NPC1 (0.48) NPC1RAB9AHRH3DPP4DPP8
SCHEMBL3666170 0.88 NPC1 (0.48) NPC1RAB9AHRH3DPP4DPP8
SCHEMBL3665039 0.87 NPC1 (0.47) NPC1RAB9AHRH3DPP4DPP8

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 4 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
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

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 1553/4885HRH3 2630/4885

“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.