SCHEMBL419682

SCHEMBL419682

CCc1cc(-c2cccc(N)n2)c(OC)cc1OC1CCN(C)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 15/20 0.57
NOS3 P29474 11/20 0.57
NOS2 P35228 7/20 0.53
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
NPM1 P06748 1/20 0.38
CSF1R P07333 1/20 0.38
LYN P07948 1/20 0.38
RET P07949 1/20 0.38
PDGFRB P09619 1/20 0.38
FGR P09769 1/20 0.38
KIT P10721 1/20 0.38
BCR P11274 1/20 0.38
SRC P12931 1/20 0.38
PDGFRA P16234 1/20 0.38
FGFR2 P21802 1/20 0.38
KIF5B P33176 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
ETV6 P41212 1/20 0.38

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
SCHEMBL7073206 0.95 NOS1 (0.60) NOS1NOS3NOS2
SCHEMBL5080890 0.90 NOS1 (0.59) NOS1NOS3NOS2
SCHEMBL7072953 0.88 NOS1 (0.58) NOS1NOS3NOS2ABL1LCK
SCHEMBL422030 0.87 NOS1 (0.58) NOS1NOS3NOS2
SCHEMBL421876 0.84 NOS1 (0.57) NOS1NOS3NOS2
SCHEMBL5080969 0.84 NOS1 (0.60) NOS1NOS3NOS2
SCHEMBL422133 0.83 NOS1 (0.66) NOS1NOS3NOS2KIT
SCHEMBL27981867 0.82 NOS3 (0.36) NOS1NOS3NOS2KITHSP90AA1
SCHEMBL8275628 0.81 NOS1 (0.54) NOS1NOS3NOS2
SCHEMBL221859 0.81 NOS1 (0.57) NOS1NOS3NOS2ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases PFIZER, INC. 2003-03-06 US 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-20170189433-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-07-06 US disclosed
EP-1910362-B1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS INC (US) 2012-10-17 EP disclosed
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-02 US disclosed
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-01-26 US disclosed
US-20110009496-A1 RESVERATROL FORMULATIONS SIRTRIS PHARMACEUTICAS, INC. (US) 2011-01-13 US disclosed
WO-2009158646-A1 THERAPEUTIC COMPUNDS AND RELATED METHODS OF USE ELIXIR PHARMACEUTICALS, INC. (US) 2009-12-30 WO disclosed
US-20070248590-A1 Modulators of CDC2-like kinases (CLKS) and methods of use thereof SIRTRIS PHARMACEUTICALS, INC. (US) 2007-10-25 US disclosed
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders PFIZER INC. 2003-08-28 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 (7 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-20110009496-A1 RESVERATROL FORMULATIONS SIRT1, SIRT5, SIRT2 NOS1 728/4885NOS3 1835/4885NOS2 1029/4885
US-20170189433-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF NNT, CS, ME2 NOS1 1659/4885NOS3 1327/4885NOS2 1778/4885
US-20030045449-A1 Pharmaceutical combinations for the treatment of neurodegenerative diseases GRIN3A, GRIN1, CHRNA10 NOS1 110/4885NOS3 157/4885NOS2 192/4885
US-10485814-B2 Nicotinamide riboside analogs and pharmaceutical compositions and uses thereof NNT, CS, ME2 NOS1 1659/4885NOS3 1327/4885NOS2 1778/4885
US-20120022254-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 NOS1 357/4885NOS3 349/4885NOS2 422/4885
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 NOS1 357/4885NOS3 349/4885NOS2 422/4885
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders GRIN2C, GRIN2A, CNR2 NOS1 2484/4885NOS3 2496/4885NOS2 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.