SCHEMBL3370066

SCHEMBL3370066

CC(C)(C)OC(=O)NC1(CC#N)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.41
P2RX7 Q99572 1/20 0.39
CTSK P43235 14/20 0.38
CTSS P25774 11/20 0.38
CTSB P07858 2/20 0.37
DPP4 P27487 1/20 0.35

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
SCHEMBL22765979 0.98 P2RX7 (0.41) CTSLP2RX7CTSKCTSSCTSB
SCHEMBL7608833 0.94 CTSL (0.43) CTSLCTSKCTSSCTSB
SCHEMBL23276791 0.87 CTSL (0.39) CTSLP2RX7CTSKCTSSCTSB
SCHEMBL23299665 0.85 CTSL (0.38) CTSLCTSKCTSSCTSB
SCHEMBL27648998 0.83 JAK2 (0.37) CTSLCTSKCTSSCTSB
SCHEMBL29168200 0.81 P2RX7 (0.37) CTSLP2RX7CTSKCTSB
SCHEMBL22960737 0.81 P2RX7 (0.41) CTSLP2RX7
SCHEMBL5521873 0.80 P2RX7 (0.42) CTSLP2RX7CTSK
SCHEMBL2055534 0.80 P2RX7 (0.42) CTSLP2RX7CTSK
SCHEMBL4418580 0.80 JAK2 (0.39)

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 CTSL 3462/4885P2RX7 1345/4885CTSK 3271/4885
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 CTSL 3504/4885P2RX7 1179/4885CTSK 3007/4885

“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.