SCHEMBL3674626

SCHEMBL3674626

CC(=O)N1CCc2sc(-c3ccc(OCc4ccccc4)cc3)nc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
PRMT5 O14744 2/20 0.50
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GRM5 P41594 2/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
S1PR5 Q9H228 2/20 0.44
BTK Q06187 1/20 0.44
MCHR1 Q99705 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MAOB P27338 1/20 0.43
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
NR4A2 P43354 1/20 0.42

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
SCHEMBL15166578 0.88 GCK (0.51) NPC1RAB9APRMT5KMT2AMAPT
SCHEMBL3582423 0.84 NPC1 (0.43) NPC1RAB9AGRM5KMT2AMEN1
SCHEMBL15164316 0.84 HRH3 (0.51) NPC1RAB9APRMT5GRM5KMT2A
SCHEMBL15166587 0.84 S1PR5 (0.52) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL3670055 0.82 NPC1 (0.48) NPC1RAB9AGRM5KMT2AMAPT
SCHEMBL15499813 0.78 RAB9A (0.50) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL15164313 0.78 NPC1 (0.52) NPC1RAB9APRMT5GRM5KMT2A
SCHEMBL4761898 0.77 NPC1 (0.48) NPC1RAB9AGRM5KMT2AMAPT
SCHEMBL3575530 0.77 HRH3 (0.58)
SCHEMBL3584219 0.77 GRM5 (0.65) NPC1RAB9APRMT5L3MBTL1GRM5

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 1553/4885PRMT5 2407/4885

“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.