SCHEMBL219973

SCHEMBL219973

COc1cc(OCCN2CCc3ccccc3C2)ccc1-c1cccc(N)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 7/20 0.52
NOS1 P29475 7/20 0.52
NOS2 P35228 7/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 4/20 0.48
ABCB1 P08183 3/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL7188760 0.96 NOS3 (0.48) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL7188765 0.86 MEN1 (0.46) MEN1KMT2AL3MBTL1TDP1KDM4E
SCHEMBL221914 0.85 NOS3 (0.63) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL27981986 0.83 MEN1 (0.51) MEN1KMT2AL3MBTL1TDP1KDM4E
SCHEMBL6583956 0.81 NOS1 (0.48) NOS3NOS1NOS2L3MBTL1
SCHEMBL5833752 0.81 NOS3 (0.74) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL5833630 0.80 NOS3 (0.69) NOS3NOS1NOS2KDM4EABCB1
SCHEMBL221387 0.79 NOS1 (0.46) NOS3NOS1NOS2
SCHEMBL5833404 0.79 NOS3 (0.76) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL7126075 0.77 NOS3 (0.79) NOS3NOS1NOS2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 US claimed
JP-2003523941-A 2003-08-12 JP claimed
US-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases PFIZER, INC. 2003-03-06 US claimed
EP-1178784-A1 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS Pfizer Products Inc. (US) 2002-02-13 EP claimed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 WO claimed
US-10485814-B2 Nicotinamide riboside analogs and pharmaceutical compositions and uses thereof GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-11-26 US disclosed
US-10316054-B2 Preparation and use of crystalline beta-D-nicotinamide riboside GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-06-11 US disclosed
US-20170204131-A1 PREPARATION AND USE OF CRYSTALLINE BETA-D-NICOTINAMIDE RIBOSIDE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-07-20 US disclosed
US-20170189433-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-07-06 US disclosed
US-20150175645-A1 NICOTINAMIDE RIBOSIDE AND ANALOGUES THEREOF GLAXOSMITHKLINE LLC (US) 2015-06-25 US disclosed
EP-2805719-A1 Nicotinamide riboside and analogues thereof Glaxosmithkline LLC (US) 2014-11-26 EP disclosed
EP-1910362-B9 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS INC (US) 2013-02-20 EP disclosed
WO-2006094237-A2 ACRIDINE AND QUINOLINE DERVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
WO-2006094248-A1 ARYL-SUBSTITUTED CYCLIC SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 US disclosed
EP-0958282-B1 2-AMINO-6-(2-SUBSTITUTED-4-PHENOXY)-SUBSTITUTED-PYRIDINES PFIZER PROD INC (US) 2004-07-21 EP disclosed
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders PFIZER INC. 2003-08-28 US disclosed
EP-1178784-A1 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS Pfizer Products Inc. (US) 2002-02-13 EP disclosed
US-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... PFIZER INC. 2001-07-12 US disclosed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 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 (9 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-20170189433-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF NNT, CS, ME2 NOS3 1327/4885NOS1 1659/4885NOS2 1778/4885
US-20170204131-A1 PREPARATION AND USE OF CRYSTALLINE BETA-D-NICOTINAMIDE RIBOSIDE NNT, HADHB, NAMPT NOS3 2462/4885NOS1 1911/4885NOS2 2495/4885
US-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases GRIN3A, GRIN1, CHRNA10 NOS3 157/4885NOS1 110/4885NOS2 192/4885
US-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... NOS1, PTGS1, NOS2 NOS3 4/4885NOS1 1/4885NOS2 3/4885
US-20150175645-A1 NICOTINAMIDE RIBOSIDE AND ANALOGUES THEREOF SIRT1, NAMPT, SIRT2 NOS3 243/4885NOS1 156/4885NOS2 217/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 NOS3 2/4885NOS1 1/4885NOS2 6/4885
US-10316054-B2 Preparation and use of crystalline beta-D-nicotinamide riboside NNT, HADHB, NAMPT NOS3 2462/4885NOS1 1911/4885NOS2 2495/4885
US-10485814-B2 Nicotinamide riboside analogs and pharmaceutical compositions and uses thereof NNT, CS, ME2 NOS3 1327/4885NOS1 1659/4885NOS2 1778/4885
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders GRIN2C, GRIN2A, CNR2 NOS3 2496/4885NOS1 2484/4885NOS2 2428/4885

“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.