SCHEMBL221744

SCHEMBL221744

CCOc1cc(-c2cccc(N)n2)ccc1OC(C)C1CCCN1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.38
PDE4D Q08499 2/20 0.34
CTSS P25774 1/20 0.34
MAOB P27338 1/20 0.34
PDCD1LG2 Q9BQ51 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
SYK P43405 2/20 0.34
S1PR1 P21453 6/20 0.34
S1PR3 Q99500 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR5 Q9H228 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
PDPK1 O15530 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
SCHEMBL220875 0.89 SYK (0.39) FPR2PDCD1LG2CD274SYKNOS1
SCHEMBL221745 0.80 FPR2 (0.39) FPR2MAOBS1PR1NOS3NOS1
SCHEMBL419969 0.79 NOS3 (0.39) PDCD1LG2CD274NOS3NOS1NOS2
SCHEMBL5833770 0.77 NOS3 (0.51) PDCD1LG2CD274NOS3NOS1NOS2
SCHEMBL252495 0.76 PDCD1LG2 (0.38) PDCD1LG2CD274NOS3NOS1NOS2
SCHEMBL5833737 0.74 NOS1 (0.53) PDCD1LG2CD274NOS3NOS1NOS2
SCHEMBL5833043 0.74 NOS3 (0.53) PDCD1LG2CD274NOS3NOS1NOS2
SCHEMBL5341095 0.73 PDCD1LG2 (0.38) PDCD1LG2CD274
SCHEMBL6582579 0.73 PDCD1LG2 (0.41) PDCD1LG2CD274NOS3NOS1NOS2
SCHEMBL220876 0.71 CHEK1 (0.45) FPR2SYKNOS3NOS1NOS2

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 88 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
WO-2018033639-A1 LACTONE INTERMEDIATES OF NICOTINAMIDE RIBOSIDE AND NICOTINATE RIBOSIDE THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2018-02-22 WO 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
EP-3152220-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-04-12 EP disclosed
EP-3149016-A1 PREPARATION AND USE OF CRYSTALLINE BETA-D-NICOTINAMIDE RIBOSIDE Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-04-05 EP disclosed
WO-2006078941-A2 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS OF USE THEREOF SIRTRIS PHARMACEUTICALS, INC. (US) 2006-07-27 WO disclosed
WO-2006076681-A2 NOVEL COMPOSITIONS FOR PREVENTING AND TREATING NEURODEGENERATIVE AND BLOOD COAGULATION DISORDERS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-07-20 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 (8 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 FPR2 1472/4885PDE4D 2685/4885CTSS 1731/4885
US-20170204131-A1 PREPARATION AND USE OF CRYSTALLINE BETA-D-NICOTINAMIDE RIBOSIDE NNT, HADHB, NAMPT FPR2 3861/4885PDE4D 826/4885CTSS 750/4885
US-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases GRIN3A, GRIN1, CHRNA10 FPR2 2836/4885PDE4D 725/4885CTSS 359/4885
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 FPR2 72/4885PDE4D 2113/4885CTSS 3494/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 FPR2 3836/4885PDE4D 960/4885CTSS 2618/4885
US-10316054-B2 Preparation and use of crystalline beta-D-nicotinamide riboside NNT, HADHB, NAMPT FPR2 3861/4885PDE4D 826/4885CTSS 750/4885
US-10485814-B2 Nicotinamide riboside analogs and pharmaceutical compositions and uses thereof NNT, CS, ME2 FPR2 1472/4885PDE4D 2685/4885CTSS 1731/4885
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders GRIN2C, GRIN2A, CNR2 FPR2 1248/4885PDE4D 2264/4885CTSS 1981/4885

“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.