SCHEMBL75813

SCHEMBL75813

CC(C)(C)OC(=O)N1CCCC1C(=O)Nc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.63
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
F10 P00742 8/20 0.53
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
JAK2 O60674 3/20 0.49
JAK3 P52333 2/20 0.48
USP30 Q70CQ3 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGS2 P35354 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL8269738 1.00 NPC1 (0.63) NPC1MEN1KMT2AF10LMNA
SCHEMBL76164 0.86 F10 (0.51) NPC1MEN1KMT2AF10PTGS2
SCHEMBL76575 0.85 F10 (0.69) NPC1MEN1KMT2AF10
SCHEMBL8314192 0.85 F10 (0.59) NPC1F10
SCHEMBL4206705 0.85 F10 (0.48) NPC1MEN1KMT2AF10
SCHEMBL5605023 0.85 F10 (0.57) F10PTGS2ALDH1A1
SCHEMBL77720 0.84 F10 (0.60) NPC1F10
SCHEMBL76875 0.82 F10 (0.49) NPC1F10PTGS2
SCHEMBL76354 0.81 F10 (0.57) NPC1MEN1KMT2AF10ALDH1A1
SCHEMBL76617 0.81 F10 (0.73) F10L3MBTL1PTGS2

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-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
US-20070265259-A1 Proline Derivatives MERCK PATENT GMBH (DE) 2007-11-15 US disclosed
US-20060183739-A1 Carbonyl compounds MERCK PATENT GMBH (DE) 2006-08-17 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 (4 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-20070265259-A1 Proline Derivatives F2, XPNPEP1, PRAP1 NPC1 2226/4885MEN1 867/4885KMT2A 3173/4885
US-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX NPC1 2731/4885MEN1 684/4885KMT2A 1530/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB NPC1 1383/4885MEN1 1153/4885KMT2A 3212/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX NPC1 2731/4885MEN1 684/4885KMT2A 1530/4885

“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.