Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL220627

Cc1cc(OCCN(C)Cc2ccccc2)cc(C)c1-c1cc2cc-2n1.N

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
ATM Q13315 2/20 0.46
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
MAOB P27338 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BCHE P06276 5/20 0.43
ACHE P22303 3/20 0.43
KCNH2 Q12809 1/20 0.42
MCHR1 Q99705 1/20 0.42
CNR1 P21554 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL220626 0.82 TSHR (0.49) TSHRATMHTR1DHTR1BMAOB
SCHEMBL17682060 0.73 TSHR (0.81) TSHRATMHTR1DHTR1BMAOB
SCHEMBL11681713 0.71 TSHR (0.77) TSHRATMHTR1DHTR1BMAOB
SCHEMBL11681701 0.69 TSHR (0.68) TSHRATMHTR1DHTR1BMAOB
SCHEMBL27379445 0.68 TSHR (0.67) TSHRATMHTR1DHTR1BMAOB
SCHEMBL15226786 0.67 TSHR (0.75) TSHRATMHTR1DHTR1BMAOB
SCHEMBL8791474 0.67 TSHR (0.75) TSHRATMHTR1DHTR1BMAOB
SCHEMBL8430091 0.67 TSHR (0.75) TSHRATMHTR1DHTR1BMAOB
SCHEMBL28126889 0.67 TSHR (0.65) TSHRATMHTR1DHTR1BMAOB
SCHEMBL11880835 0.65 TSHR (0.71) TSHRATMHTR1DHTR1BMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3152220-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-04-12 EP 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
EP-1910385-B1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC (US) 2013-07-24 EP disclosed
EP-1910362-B9 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS INC (US) 2013-02-20 EP disclosed
EP-1910362-B1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS INC (US) 2012-10-17 EP disclosed
WO-2007019346-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US 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-2006094237-A2 ACRIDINE AND QUINOLINE DERVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
WO-2006094210-A2 TETRAHYDROQUINOXALINONE 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 (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-20170204131-A1 PREPARATION AND USE OF CRYSTALLINE BETA-D-NICOTINAMIDE RIBOSIDE NNT, HADHB, NAMPT TSHR 3879/4885ATM 4078/4885HTR1D 3089/4885
US-20070037809-A1 histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes SIRT1, SIRT3, SIRT2 TSHR 3312/4885ATM 1211/4885HTR1D 3637/4885
US-20150175645-A1 NICOTINAMIDE RIBOSIDE AND ANALOGUES THEREOF SIRT1, NAMPT, SIRT2 TSHR 1983/4885ATM 2005/4885HTR1D 3459/4885
US-10316054-B2 Preparation and use of crystalline beta-D-nicotinamide riboside NNT, HADHB, NAMPT TSHR 3879/4885ATM 4078/4885HTR1D 3089/4885
US-20060276393-A1 Novel compositions for preventing and treating neurodegenerative and blood coagulation disorders SIRT2, SIRT1, SIRT3 TSHR 4603/4885ATM 1119/4885HTR1D 4496/4885
US-20060229265-A1 Nicotinamide riboside and analogues thereof SIRT1, NAMPT, SIRT2 TSHR 1983/4885ATM 2005/4885HTR1D 3459/4885

“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.