SCHEMBL1169799

SCHEMBL1169799

CCOC(=O)c1nc2n(c(=O)c1O)CCOC21CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 8/20 0.34
KDM5B Q9UGL1 2/20 0.34
OGFRL1 Q5TC84 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
KDM4E B2RXH2 6/20 0.33
MAPT P10636 5/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL1170023 0.98 L3MBTL1 (0.35) L3MBTL1ALDH1A1KDM5BOGFRL1OPRM1
SCHEMBL12778062 0.92 L3MBTL1 (0.39) L3MBTL1ALDH1A1KDM5BOGFRL1OPRM1
SCHEMBL13647700 0.90 KDM4E (0.33) L3MBTL1ALDH1A1KDM5BOGFRL1OPRM1
SCHEMBL2083133 0.89 ALDH1A1 (0.33) L3MBTL1ALDH1A1KDM5BOGFRL1OPRM1
SCHEMBL14064643 0.88 KDM4E (0.35) L3MBTL1ALDH1A1KDM5BOGFRL1OPRM1
SCHEMBL12864848 0.88 L3MBTL1 (0.35) L3MBTL1ALDH1A1KDM5BOGFRL1OPRM1
SCHEMBL12776774 0.88 CYP3A4 (0.33) L3MBTL1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL2081096 0.88 L3MBTL1 (0.38) L3MBTL1ALDH1A1OGFRL1OPRM1OPRD1
SCHEMBL2080105 0.87 MAPT (0.34) L3MBTL1ALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL2080371 0.86 ALDH1A1 (0.32) L3MBTL1ALDH1A1OGFRL1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902182-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 US disclosed
US-7893055-B2 pyrimido[2,1-c][1,4]oxazine-2-carboxamide, N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-; inhibits HIV integrase and prevent viral integration into human DNA BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-22 US disclosed
US-7893055-B2 pyrimido[2,1-c][1,4]oxazine-2-carboxamide, N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-; inhibits HIV integrase and prevent viral integration into human DNA BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-22 US disclosed
US-7893055-B2 pyrimido[2,1-c][1,4]oxazine-2-carboxamide, N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-; inhibits HIV integrase and prevent viral integration into human DNA BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-22 US disclosed
EP-1745052-B9 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2009-10-28 EP disclosed
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
EP-1745052-B1 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2008-08-20 EP disclosed
US-20080004265-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-01-03 US disclosed
US-20080004265-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-01-03 US disclosed
US-20080004265-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-01-03 US disclosed
WO-2008002959-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-03 WO disclosed
US-7273859-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-7273859-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
WO-2007059229-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-24 WO disclosed
WO-2007058646-A1 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-24 WO disclosed
US-20070111985-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US disclosed
US-20070111985-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 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 (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-20080004265-A1 HIV Integrase Inhibitors TYMP, POLN, IMPDH1 L3MBTL1 2458/4885ALDH1A1 348/4885KDM5B 329/4885
US-20070111985-A1 HIV integrase inhibitors TYMP, POLN, IMPDH1 L3MBTL1 2458/4885ALDH1A1 348/4885KDM5B 329/4885

“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.