SCHEMBL221420

SCHEMBL221420

CCCOc1cc(OCCN(C)Cc2ccccc2)ccc1-c1cccc(N)n1.CCOCCOc1ccc(-c2cccc(N)n2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 11/20 0.48
▸ NOS3 P29474 7/20 0.48
▸ TSHR P16473 2/20 0.48
▸ NOS2 P35228 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ MAOB P27338 1/20 0.40
▸ NCF1 P14598 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ HTR1B P28222 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL4288647 0.91 NOS3 (0.50) NOS1NOS3TSHRNOS2KDM4E
SCHEMBL218644 0.90 NOS1 (0.55) NOS1NOS3TSHRNOS2MAOB
SCHEMBL419722 0.89 TSHR (0.47) TSHRKDM4EMAOBHTR1DHTR1B
SCHEMBL221095 0.87 TSHR (0.52) NOS1NOS3TSHRNOS2KDM4E
SCHEMBL4291359 0.83 NCF1 (0.53) NOS1NOS3NOS2NCF1
SCHEMBL221454 0.80 NOS1 (0.47) NOS1NOS3TSHRNOS2KDM4E
SCHEMBL220827 0.79 NOS1 (0.63) NOS1NOS3NOS2
SCHEMBL5572412 0.78 TSHR (0.50) NOS1NOS3TSHRNOS2KDM4E
SCHEMBL222693 0.77 NOS1 (0.73) NOS1NOS3NOS2
SCHEMBL7078114 0.75 NOS3 (0.66) NOS1NOS3TSHRNOS2KDM4E

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 63 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
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-2015186068-A1 PREPARATION AND USE OF CRYSTALLINE BETA-D-NICOTINAMIDE RIBOSIDE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-12-10 — — WO disclosed
WO-2015186114-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF 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
WO-2007019346-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 — — WO disclosed
WO-2007019344-A1 IMIDAZO [2,1-B] THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 — — WO disclosed
WO-2007008548-A2 METHODS AND RELATED COMPOSITIONS FOR TREATING OR PREVENTING OBESITY, INSULIN RESISTANCE DISORDERS, AND MITOCHONDRIAL-ASSOCIATED DISORDERS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-01-18 — — WO disclosed
US-20060276393-A1 Novel compositions for preventing and treating neurodegenerative and blood coagulation disorders SIRTRIS PHARMACEUTICALS, INC. (US) 2006-12-07 — — US disclosed
US-20060229265-A1 Nicotinamide riboside and analogues thereof SIRTRIS PHARMACEUTICALS, INC. (US) 2006-10-12 — — US 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-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 (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-20170189433-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF NNT, CS, ME2 NOS1 1659/4885NOS3 1327/4885TSHR 2539/4885
US-20170204131-A1 PREPARATION AND USE OF CRYSTALLINE BETA-D-NICOTINAMIDE RIBOSIDE NNT, HADHB, NAMPT NOS1 1911/4885NOS3 2462/4885TSHR 3879/4885
US-20150175645-A1 NICOTINAMIDE RIBOSIDE AND ANALOGUES THEREOF SIRT1, NAMPT, SIRT2 NOS1 156/4885NOS3 243/4885TSHR 1983/4885
US-10316054-B2 Preparation and use of crystalline beta-D-nicotinamide riboside NNT, HADHB, NAMPT NOS1 1911/4885NOS3 2462/4885TSHR 3879/4885
US-10485814-B2 Nicotinamide riboside analogs and pharmaceutical compositions and uses thereof NNT, CS, ME2 NOS1 1659/4885NOS3 1327/4885TSHR 2539/4885
US-20060276393-A1 Novel compositions for preventing and treating neurodegenerative and blood coagulation disorders SIRT2, SIRT1, SIRT3 NOS1 457/4885NOS3 422/4885TSHR 4603/4885
US-20060229265-A1 Nicotinamide riboside and analogues thereof SIRT1, NAMPT, SIRT2 NOS1 156/4885NOS3 243/4885TSHR 1983/4885

“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.

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