SCHEMBL4423208

SCHEMBL4423208

CCOC(=O)N1CCC(N)(CC#N)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
GAA P10253 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM1A O60341 1/20 0.42
RECQL P46063 1/20 0.41
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
CHRM1 P11229 1/20 0.38
MAPT P10636 2/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL4419449 0.91 ALDH1A1 (0.40) ALDH1A1GAASMN1; SMN2TSHRL3MBTL1
SCHEMBL1140258 0.81 ALDH1A1 (0.49) ALDH1A1GAASMN1; SMN2TSHRL3MBTL1
SCHEMBL16825967 0.79 GAA (0.47) ALDH1A1GAASMN1; SMN2TSHRL3MBTL1
SCHEMBL23276772 0.78 JAK2 (0.56) ALDH1A1GAASMN1; SMN2L3MBTL1KDM4E
SCHEMBL28761782 0.78 JAK2 (0.31)
SCHEMBL4425200 0.78 GAA (0.46) ALDH1A1GAASMN1; SMN2TSHRL3MBTL1
Hydrochloric Acid SCHEMBL4425195 0.76 GAA (0.45) ALDH1A1GAASMN1; SMN2TSHRL3MBTL1
SCHEMBL6824028 0.76 ALDH1A1 (0.50) ALDH1A1GAASMN1; SMN2TSHRL3MBTL1
SCHEMBL16846158 0.75 GAA (0.44) ALDH1A1GAASMN1; SMN2TSHRL3MBTL1
SCHEMBL16644572 0.72 GAA (0.47) ALDH1A1GAASMN1; SMN2TSHRL3MBTL1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547705-B2 Substituted 8′-pyri(MI)dinyl-dihydrospiro-[cycloalkylamine]-pyrimido[1,2-a]pyrimidin-6-one derivatives SANOFI-AVENTIS (FR) 2009-06-16 US disclosed
US-20080081820-A1 SUBSTITUTED 8'-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKYLAMINE]-PYRIMIDO[1,2-a]PYRIMIDIN-6-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-04-03 US disclosed
US-7294631-B2 Substituted 8′-pyri(MI)dinyl-dihydrospiro-[cycloalkylamine]-pyrimido[1,2-a]pyrimidin-6-one derivatives SANOFI-AVENTIS (FR) 2007-11-13 US disclosed
EP-1699795-B1 SUBSTITUTED 8'-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKLYMINE]-PYRIMIDO[1,2A]PYRIMIDIN-6-ONE DERIVATIVES SANOFI AVENTIS (FR) 2007-04-25 EP disclosed
EP-1557417-B1 Substituted 8'-pyri(mi)dinyl-dihydrospiro-[cycloalkylamine]-pyrimido[1,2-a] pyrimidin-6-one derivatives SANOFI AVENTIS (FR) 2007-03-07 EP disclosed
US-20070010539-A1 SUBSTITUTED 8'-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKYLAMINE]-PYRIMIDO[1,2-a]PYRIMIDIN-6-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2007-01-11 US disclosed
EP-1699795-A1 SUBSTITUTED 8'-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKLYMINE]-PYRIMIDO[1,2A]PYRIMIDIN-6-ONE DERIVATIVES Sanofi-Aventis (FR) 2006-09-13 EP disclosed
EP-1557417-A1 Substituted 8'-pyri(mi)dinyl-dihydrospiro-[cycloalkylamine]-pyrimido[1,2a] pyrimidin-6-one derivatives Sanofi-Aventis (FR) 2005-07-27 EP disclosed
WO-2005058908-A1 SUBSTITUTED 8’-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKYLAMINE]-PYRIMIDO[1,2-a]PYRIMIDIN-6-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2005-06-30 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 (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-20070010539-A1 SUBSTITUTED 8'-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKYLAMINE]-PYRIMIDO[1,2-a]PYRIMIDIN-6-ONE DERIVATIVES GSK3B, GSK3A, PSEN1 ALDH1A1 906/4885GAA 444/4885SMN1; SMN2 540/4885
US-20080081820-A1 SUBSTITUTED 8'-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKYLAMINE]-PYRIMIDO[1,2-a]PYRIMIDIN-6-ONE DERIVATIVES GSK3B, GSK3A, PSEN1 ALDH1A1 381/4885GAA 866/4885SMN1; SMN2 151/4885

“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.