SCHEMBL221052

SCHEMBL221052

CC(C)c1cc(OC2CCN(C)C2)ccc1-c1cccc(N)n1.CC(C)c1cc(OC2CCN(C)C2)ccc1-c1cccc(N)n1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 7/20 0.64
NOS1 P29475 7/20 0.64
NOS2 P35228 7/20 0.64
SOS1 Q07889 2/20 0.41
USP2 O75604 1/20 0.41
USP1 O94782 1/20 0.41
USP8 P40818 1/20 0.41
OTUB1 Q96FW1 1/20 0.41
CDK2 P24941 1/20 0.38
CDK9 P50750 1/20 0.38
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
CHEK2 O96017 1/20 0.37
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL954571 1.00 NOS3 (0.64) NOS3NOS1NOS2SOS1USP2
SCHEMBL220425 0.95 NOS3 (0.56) NOS3NOS1NOS2SOS1CDK2
SCHEMBL222403 0.93 NOS3 (0.54) NOS3NOS1NOS2SOS1USP2
SCHEMBL4563531 0.90 NOS3 (0.53) NOS3NOS1NOS2SOS1USP2
SCHEMBL422148 0.86 NOS3 (0.47) NOS3NOS1NOS2SOS1USP2
SCHEMBL6584972 0.84 NOS3 (0.62) NOS3NOS1NOS2USP2USP1
SCHEMBL221344 0.84 NOS1 (0.65) NOS3NOS1NOS2PDE3BPDE3A
SCHEMBL956395 0.82 NOS3 (0.60) NOS3NOS1NOS2USP2USP1
SCHEMBL221743 0.81 PRKCZ (0.45) NOS3NOS1NOS2SOS1
SCHEMBL8082215 0.79 NOS1 (0.61) NOS3NOS1NOS2CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3149016-A1 PREPARATION AND USE OF CRYSTALLINE BETA-D-NICOTINAMIDE RIBOSIDE Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-04-05 EP disclosed
WO-2015186068-A1 PREPARATION AND USE OF CRYSTALLINE BETA-D-NICOTINAMIDE RIBOSIDE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-12-10 WO 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-1910385-B1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC (US) 2013-07-24 EP disclosed
US-20060229265-A1 Nicotinamide riboside and analogues thereof SIRTRIS PHARMACEUTICALS, INC. (US) 2006-10-12 US disclosed
WO-2006105440-A2 NICOTINAMIDE RIBOSIDE AND ANALOGUES THEREOF SIRTRIS PHARMACEUTICALS, INC. (US) 2006-10-05 WO disclosed
WO-2006094246-A2 N-ARYLMETHYL BENZAMIDE SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
WO-2006094237-A2 ACRIDINE AND QUINOLINE DERVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
WO-2006094236-A1 N-PHENYL BENZAMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
WO-2006094209-A2 N-BENZIMIDAZOLYLALKYL-SUBSTITUTED AMIDE 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
WO-2006094235-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-09-08 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20150175645-A1 NICOTINAMIDE RIBOSIDE AND ANALOGUES THEREOF SIRT1, NAMPT, SIRT2 NOS3 243/4885NOS1 156/4885NOS2 217/4885
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-20060229265-A1 Nicotinamide riboside and analogues thereof SIRT1, NAMPT, SIRT2 NOS3 243/4885NOS1 156/4885NOS2 217/4885

“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.