SCHEMBL4411674

SCHEMBL4411674

CCC(C(=O)O)C(=O)c1ccncn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.49
FAAH O00519 1/20 0.43
CTNNB1 P35222 2/20 0.39
WNT3A P56704 2/20 0.39
GRM4 Q14833 2/20 0.38
TBXA2R P21731 4/20 0.36
HTT P42858 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 1/20 0.34
BRPF1 P55201 1/20 0.34
KMT2A Q03164 3/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
GFER P55789 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL11531412 0.84 P2RX7 (0.44) P2RX7FAAHCTNNB1WNT3ASMN1; SMN2
SCHEMBL13827559 0.81 P2RX7 (0.50) P2RX7FAAHCTNNB1WNT3AGRM4
SCHEMBL5160380 0.81 FAAH (0.43) P2RX7FAAHTBXA2RHTTLMNA
SCHEMBL5160899 0.79 P2RX7 (0.47) P2RX7FAAHCTNNB1WNT3AGRM4
SCHEMBL3494048 0.78 GSK3B (0.56) CTNNB1WNT3AHTTLMNASMN1; SMN2
SCHEMBL5160371 0.78 FAAH (0.45) P2RX7FAAHCTNNB1WNT3ATBXA2R
SCHEMBL8016097 0.77 P2RX7 (0.52) P2RX7FAAHCTNNB1WNT3AGRM4
SCHEMBL30481578 0.77 P2RX7 (0.56) P2RX7FAAHCTNNB1WNT3AGRM4
SCHEMBL882670 0.77 P2RX7 (0.56) P2RX7FAAHCTNNB1WNT3AGRM4
SCHEMBL5161602 0.77 P2RX7 (0.45) P2RX7FAAHCTNNB1WNT3AGRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608653-B1 SUBSTITUTED 8-PERFLUOROALKYL-6,7,8,9-TETRAHYDROPYRIMIDO (1,2- a) PYRIMIDIN-4-ONE DERIVATIVES SANOFI AVENTIS (FR) 2009-06-17 EP disclosed
US-7393853-B2 Use of substituted 8-Perfluoroalkyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives as therapeutic agents SANOFI AVENTIS (FR) 2008-07-01 US disclosed
US-20070191384-A1 Use of Substituted 8-Perfluoroalkyl-6,7,8,9-tetrahydropyrimido[1,2-a] Pyrimidin-4-one Derivatives as Therapeutic Agents SANOFI-AVENTIS (FR) 2007-08-16 US disclosed
US-7217715-B2 Substituted 8-perfluoroalkyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2007-05-15 US disclosed
EP-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 EP disclosed
US-20060035910-A1 Substituted 8-perfluoroalkyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives SANOFI-AVENTIS (FR) 2006-02-16 US disclosed
EP-1608653-A1 SUBSTITUTED 8-PERFLUOROALKYL-6,7,8,9-TETRAHYDROPYRIMIDO (1,2- a) PYRIMIDIN-4-ONE DERIVATIVES Sanofi-Aventis (FR) 2005-12-28 EP disclosed
WO-2004083210-A1 SUBSTITUTED 8-PERFLUOROALKYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2004-09-30 WO disclosed
EP-1460076-A1 Substituted 8-perfluoroalkyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives SANOFI-SYNTHELABO (FR) 2004-09-22 EP disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 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-20070191384-A1 Use of Substituted 8-Perfluoroalkyl-6,7,8,9-tetrahydropyrimido[1,2-a] Pyrimidin-4-one Derivatives as Therapeutic Agents GSK3B, GSK3A, PSEN1 P2RX7 1260/4885FAAH 2808/4885CTNNB1 147/4885
US-20060035910-A1 Substituted 8-perfluoroalkyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one derivatives PSEN1, PSEN2, GSK3A P2RX7 431/4885FAAH 3229/4885CTNNB1 58/4885

“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.