SCHEMBL76164

SCHEMBL76164

CC(C)(C)OC(=O)N1CCNCC1C(=O)Nc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.51
NPC1 O15118 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGS2 P35354 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL75813 0.86 NPC1 (0.63) F10NPC1MEN1KMT2APTGS2
SCHEMBL8269738 0.86 NPC1 (0.63) F10NPC1MEN1KMT2APTGS2
SCHEMBL4213239 0.86 F10 (0.42) F10PTGS2
SCHEMBL8314192 0.83 F10 (0.59) F10NPC1MAPT
SCHEMBL76575 0.83 F10 (0.69) F10NPC1MEN1KMT2AMAPT
SCHEMBL4208915 0.82 F10 (0.70) F10PTGS2MAPT
SCHEMBL77720 0.81 F10 (0.60) F10NPC1MAPT
SCHEMBL76875 0.80 F10 (0.49) F10NPC1PTGS2
SCHEMBL76354 0.79 F10 (0.57) F10NPC1MEN1KMT2AMAPT
SCHEMBL14311444 0.78 F10 (0.51) F10NPC1MAPT

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX F10 5/4885NPC1 2731/4885MEN1 684/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB F10 22/4885NPC1 1383/4885MEN1 1153/4885

“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.