SCHEMBL4765133

SCHEMBL4765133

CNC(C)C(=O)OCC1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.40
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
PIK3CD O00329 1/20 0.35
CNR2 P34972 5/20 0.34
CNR1 P21554 3/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
AOC3 Q16853 1/20 0.32
SCN9A Q15858 1/20 0.32
NAAA Q02083 1/20 0.32
PSMB5 P28074 1/20 0.31
KAT2B Q92831 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL10142189 0.85 ACACB (0.39) ACACBHDAC3HDAC1HDAC2PIK3CD
SCHEMBL15998174 0.85 ACACB (0.39) ACACBHDAC3HDAC1HDAC2PIK3CD
SCHEMBL13057636 0.83 LMNA (0.46) PSMB5
SCHEMBL13811588 0.82 ACACB (0.40) ACACBHDAC3HDAC1HDAC2PIK3CD
SCHEMBL19088597 0.81 ACACB (0.37) ACACBHDAC3HDAC1HDAC2PIK3CD
SCHEMBL25885731 0.79 ACACB (0.39) ACACBHDAC3HDAC1HDAC2PIK3CD
SCHEMBL10186030 0.79 ACACB (0.39) ACACBHDAC3HDAC1HDAC2PIK3CD
SCHEMBL4765091 0.79 CARM1 (0.39) HDAC3HDAC1HDAC2
SCHEMBL12184829 0.77 HDAC3 (0.43) ACACBHDAC3HDAC1HDAC2CNR2
SCHEMBL22644001 0.77 ACACB (0.35) ACACBHDAC3HDAC1HDAC2CNR2

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-09-21 US disclosed
US-20230158053-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2023-05-25 US disclosed
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2023-04-27 US disclosed
US-20190350960-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-11-21 US disclosed
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2018-05-31 US disclosed
US-RE46762-E1 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC (US) 2018-03-27 US disclosed
US-9919003-B2 Nicotinamide mononucleotide derivatives and their uses METRO INTERNATIONAL BIOTECH, LLC (US) 2018-03-20 US disclosed
US-9855289-B2 Nicotinamide mononucleotide derivatives and their uses METRO INTERNATIONAL BIOTECH, LLC (US) 2018-01-02 US disclosed
US-20170290850-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METRO INTERNATIONAL BIOTECH, LLC 2017-10-12 US disclosed
US-20170226140-A1 2' FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-08-10 US disclosed
US-20120009147-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-12 US disclosed
US-8012942-B2 Carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-09-06 US disclosed
US-8012941-B2 Carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-09-06 US disclosed
US-8008264-B2 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed
US-7973013-B2 2'-fluoro substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-07-05 US disclosed
US-20110070194-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2011-03-24 US disclosed
WO-2010093608-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-08-19 WO disclosed
US-20100203015-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-08-12 US disclosed
US-20100021425-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-01-28 US disclosed
US-20090317361-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2009-12-24 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 (12 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-20230158053-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 ACACB 623/4885HDAC3 192/4885HDAC1 420/4885
US-20170226140-A1 2' FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NUDT1, NSUN2 ACACB 4481/4885HDAC3 655/4885HDAC1 498/4885
US-20120009147-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NSUN2, CDA ACACB 3322/4885HDAC3 615/4885HDAC1 1381/4885
US-20100203015-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, TYMP, MTAP ACACB 4144/4885HDAC3 627/4885HDAC1 1858/4885
US-20110070194-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, RNGTT, SLC29A1 ACACB 3843/4885HDAC3 896/4885HDAC1 1431/4885
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 ACACB 623/4885HDAC3 192/4885HDAC1 420/4885
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 ACACB 4365/4885HDAC3 1406/4885HDAC1 1202/4885
US-20100021425-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, MTAP, SLC29A1 ACACB 3979/4885HDAC3 422/4885HDAC1 576/4885
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NAMPT, NUDT15, NME4 ACACB 2214/4885HDAC3 790/4885HDAC1 685/4885
US-20090317361-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT CDA, PNP, MTAP ACACB 3669/4885HDAC3 448/4885HDAC1 920/4885
US-20170290850-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 ACACB 623/4885HDAC3 192/4885HDAC1 420/4885
US-20190350960-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NAMPT, NME4, NUDT15 ACACB 2059/4885HDAC3 724/4885HDAC1 602/4885

“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.