SCHEMBL4419449

SCHEMBL4419449

CCOC(=O)N1CCC(N)(CC#N)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
GAA P10253 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KDM1A O60341 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
RECQL P46063 1/20 0.36
GRM5 P41594 3/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
CHRM1 P11229 1/20 0.34

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
SCHEMBL4423208 0.91 ALDH1A1 (0.44) ALDH1A1GAASMN1; SMN2L3MBTL1KDM1A
Hydrochloric Acid SCHEMBL4418159 0.78 L3MBTL1 (0.40) ALDH1A1GAASMN1; SMN2L3MBTL1TSHR
SCHEMBL1140258 0.75 ALDH1A1 (0.49) ALDH1A1GAASMN1; SMN2L3MBTL1MEN1
SCHEMBL19331745 0.75 MEN1 (0.46) ALDH1A1MEN1KMT2AMAPTJAK2
SCHEMBL24348074 0.74 GAA (0.45) ALDH1A1GAASMN1; SMN2L3MBTL1MEN1
SCHEMBL16825967 0.73 GAA (0.47) ALDH1A1GAASMN1; SMN2L3MBTL1MEN1
SCHEMBL28761782 0.73 JAK2 (0.31) JAK2JAK1
SCHEMBL17177194 0.72 TSHR (0.48) ALDH1A1GAASMN1; SMN2L3MBTL1MEN1
SCHEMBL4425200 0.72 GAA (0.46) ALDH1A1GAASMN1; SMN2L3MBTL1TSHR
Hydrochloric Acid SCHEMBL4425195 0.71 GAA (0.45) ALDH1A1GAASMN1; SMN2L3MBTL1TSHR

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-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-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
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
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 (1 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

“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.