SCHEMBL2963777

SCHEMBL2963777

CCOC(=O)c1nc(C2CCOC2)n(C)c(=O)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 2/20 0.38
TNF P01375 1/20 0.36
TDP2 O95551 1/20 0.35
HTT P42858 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PDE1B Q01064 2/20 0.33
PDE10A Q9Y233 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1C Q14123 1/20 0.33
PDE4B Q07343 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL2961593 0.93 TDP2 (0.39) OGFRL1TDP2HTTKDM4EALDH1A1
SCHEMBL12225747 0.84 ADORA2A (0.41) OGFRL1ALDH1A1L3MBTL1ADORA2AMAPT
SCHEMBL2961577 0.80 OGFRL1 (0.38) OGFRL1HTTKDM4EALDH1A1L3MBTL1
SCHEMBL2963347 0.78 OGFRL1 (0.36) OGFRL1HTTKDM4EALDH1A1L3MBTL1
SCHEMBL6093597 0.75 HTT (0.52) HTTKDM4EALDH1A1L3MBTL1ADORA3
SCHEMBL22079303 0.72 NPSR1 (0.39) ALDH1A1ADORA2A
SCHEMBL2970902 0.71 MMP13 (0.42) PDE1BPDE1APDE1C
SCHEMBL3060674 0.71 ALDH1A1 (0.44) HTTKDM4EALDH1A1ADORA3ADORA2A
SCHEMBL20386876 0.71 KMT2A (0.43) HTTALDH1A1L3MBTL1GABRA1GABRG2
SCHEMBL22079305 0.70 ADORA2A (0.40) ALDH1A1PDE4BADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763630-B2 pyrimidinone compounds such as N-(4-Fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-2-(tetrahydrofuran-3-yl)-1,6-dihydropyrimidine-4-carboxamide, used for treating human immunodeficiency virus (HIV) and acquired immune deficiency syndrome (AIDS) BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-27 US disclosed
US-7763630-B2 pyrimidinone compounds such as N-(4-Fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-2-(tetrahydrofuran-3-yl)-1,6-dihydropyrimidine-4-carboxamide, used for treating human immunodeficiency virus (HIV) and acquired immune deficiency syndrome (AIDS) BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-27 US disclosed
US-7763630-B2 pyrimidinone compounds such as N-(4-Fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-2-(tetrahydrofuran-3-yl)-1,6-dihydropyrimidine-4-carboxamide, used for treating human immunodeficiency virus (HIV) and acquired immune deficiency syndrome (AIDS) BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-27 US disclosed
WO-2008154246-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-18 WO disclosed
US-20080306051-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-12-11 US disclosed
US-20080306051-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-12-11 US disclosed
US-20080306051-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-12-11 US 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-20080306051-A1 HIV Integrase Inhibitors TYMP, IMPDH1, UNG OGFRL1 4168/4885TNF 3322/4885TDP2 158/4885

“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.