SCHEMBL3365305

SCHEMBL3365305

CC(C)(C)OC(=O)NC1(CCN)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.40
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
CTSL P07711 1/20 0.34
APLNR P35414 1/20 0.33
EPHX1 P07099 1/20 0.33
PPIA P62937 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMO Q99835 1/20 0.32
BTK Q06187 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
GAA P10253 2/20 0.31
CTSK P43235 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31

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
SCHEMBL25574885 0.97 P2RX7 (0.38) P2RX7MEN1KMT2AMAPK1CTSL
SCHEMBL3364824 0.93 MEN1 (0.36) P2RX7MEN1KMT2AMAPK1CTSL
Hydrochloric Acid SCHEMBL30426524 0.92 MEN1 (0.35) P2RX7MEN1KMT2AMAPK1CTSL
SCHEMBL28220352 0.88 P2RX7 (0.40) P2RX7EPHX1
SCHEMBL1134597 0.87 P2RX7 (0.41) P2RX7MEN1KMT2AMAPK1CTSL
SCHEMBL891896 0.86 CTSL (0.34) P2RX7MEN1KMT2AMAPK1CTSL
SCHEMBL8282017 0.85 P2RX7 (0.43) P2RX7MEN1KMT2AMAPK1CTSL
SCHEMBL25568634 0.84 TDP1 (0.36) P2RX7MEN1KMT2AMAPK1CTSL
SCHEMBL7639921 0.84 P2RX7 (0.42) P2RX7MEN1KMT2AMAPK1CTSL
SCHEMBL16081548 0.83 P2RX7 (0.39) P2RX7MEN1KMT2AMAPK1CTSL

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
EP-1603915-B1 SUBSTITUTED 8 -PYRIDINYL-DIHYDROSPIRO- CYCLOALKYL -PYRIMIDO 1,2-a PYRIMIDIN-6-ONE AND 8 -PYRIMIDIN YL-DIHYDROSPIRO- CYCLOALKYL -PYRIMIDO 1,2-a PYRIMIDIN-6-ONE DERIVATIVES AND THEIR USE AGAINST NEUROGENERATIVE DISEASES SANOFI AVENTIS (FR) 2010-05-26 EP disclosed
US-7507743-B2 1'-[(2S)-2-Hydroxy-2-phenylethyl]-8'-pyridin-4-yl-3',4'-dihydrospiro[cyclopropane-1,2'-pyrimido[1,2-a]pyrimidin]-6'(1'H)-one; glycogen synthase kinase-3 beta inhibitor; neurodegenerative disease, non-insulin dependent diabetes; inhibit amyloid precursor protein and tau protein hyperphosphorylation SANOFI-AVENTIS (FR) 2009-03-24 US disclosed
US-20080081819-A1 SUBSTITUTED 8'-PYRIDINYL-DIHYDROSPIRO-[CYCLOALKYL]-PYRIMIDO[1,2-a] PYRIMIDIN-6-ONE AND 8'-PYRIMIDINYL-DIHYDROSPIRO-[CYCLOALKYL]-PYRIMIDO[1,2-a] PYRIMIDIN-6-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-04-03 US disclosed
US-7294632-B2 Substituted 8′-pyridinyl-dihydrospiro-[cycloalkyl]-pyrimido[1,2-a]pyrimidin-6-one and 8′-pyrimidinyl-dihydrospiro-[cycloalkyl]-pyrimido[1,2-a]pyrimidin-6-one derivatives SANOFI-AVENTIS (FR) 2007-11-13 US disclosed
US-20060025431-A1 Substituted 8'-pyridinyl-dihydrospiro-[cycloalkyl]-pyrimido[1,2-a]pyrimidin-6-one and 8'-pyrimidinyl-dihydrospiro-[cycloalkyl]-pyrimido[1,2-a]pyrimidin-6-one derivatives SANOFI-AVENTIS (FR) 2006-02-02 US disclosed
EP-1454909-A1 Substituted 8'-pyridinyl-dihydrospiro-(cycloalkyl)-pyrimido(1,2-a) pyrimidin-6-one and 8'-pyrimidinyl-dihydrospiro-(cycloalkyl)-pyrimido(1,2-a)pyrimidin-6-one derivatives and their use against neurodegenerative diseases SANOFI-SYNTHELABO (FR) 2004-09-08 EP 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-20060025431-A1 Substituted 8'-pyridinyl-dihydrospiro-[cycloalkyl]-pyrimido[1,2-a]pyrimidin-6-one and 8'-pyrimidinyl-dihydrospiro-[cycloalkyl]-pyrimido[1,2-a]pyrimidin-6-one derivatives PSEN1, PSEN2, GSK3A P2RX7 1345/4885MEN1 4443/4885KMT2A 1407/4885
US-20080081819-A1 SUBSTITUTED 8'-PYRIDINYL-DIHYDROSPIRO-[CYCLOALKYL]-PYRIMIDO[1,2-a] PYRIMIDIN-6-ONE AND 8'-PYRIMIDINYL-DIHYDROSPIRO-[CYCLOALKYL]-PYRIMIDO[1,2-a] PYRIMIDIN-6-ONE DERIVATIVES PSEN2, PSEN1, GSK3A P2RX7 1179/4885MEN1 4491/4885KMT2A 1142/4885

“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.