SCHEMBL704576

SCHEMBL704576

CCCC(N)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.53
CYP2D6 P10635 2/20 0.53
KCNE1 P15382 1/20 0.53
KCNH2 Q12809 2/20 0.51
TSHR P16473 2/20 0.46
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
CHRM2 P08172 3/20 0.44
SCN1A P35498 2/20 0.44
SCN2A Q99250 2/20 0.44
SCN3A Q9NY46 2/20 0.44
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
SLC6A3 Q01959 2/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 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
SCHEMBL31482137 1.00 KCNA5 (0.53) KCNA5CYP2D6KCNE1KCNH2TSHR
SCHEMBL23832945 1.00 KCNA5 (0.53) KCNA5CYP2D6KCNE1KCNH2TSHR
Ammonia Solution, Strong SCHEMBL7427434 0.98 KCNA5 (0.51) KCNA5CYP2D6KCNE1KCNH2TSHR
SCHEMBL16768770 0.89 KCNA5 (0.50) KCNA5CYP2D6KCNE1KCNH2TSHR
SCHEMBL5663826 0.87 KCNA5 (0.49) KCNA5CYP2D6KCNE1KCNH2TSHR
SCHEMBL27873703 0.86 KCNA5 (0.47) KCNA5CYP2D6KCNE1KCNH2TSHR
SCHEMBL26487309 0.86 KCNA5 (0.47) KCNA5CYP2D6KCNE1KCNH2TSHR
SCHEMBL23114268 0.86 KCNA5 (0.47) KCNA5CYP2D6KCNE1KCNH2TSHR
SCHEMBL10693275 0.86 KCNA5 (0.47) KCNA5CYP2D6KCNE1KCNH2TSHR
SCHEMBL1579392 0.84 KCNA5 (0.50) KCNA5CYP2D6KCNE1KCNH2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED (US) 2022-10-13 US disclosed
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof FIRMENICH INCORPORATED (US) 2022-03-08 US disclosed
US-20200225217-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED (US) 2020-07-16 US disclosed
US-10557845-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof FIRMENICH INCORPORATED (US) 2020-02-11 US disclosed
EP-1659881-B1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX INC (US) 2019-04-03 EP disclosed
EP-3431464-A2 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF Senomyx Inc. (US) 2019-01-23 EP disclosed
US-20180364220-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED 2018-12-20 US disclosed
US-10060909-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof SENOMYX, INC. (US) 2018-08-28 US disclosed
EP-2897939-B1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES FOR TREATING METABOLIC OR CARDIOVASCULAR DISEASES SANOFI SA (FR) 2017-02-01 EP disclosed
US-9156796-B2 Benzoimidazole-carboxylic acid amide derivatives as APJ receptor modulators SANOFI (FR) 2015-10-13 US disclosed
US-8124121-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof SENOMYX, INC. (US) 2012-02-28 US disclosed
US-7829587-B2 Substituted 2-aminotetralin derivatives as selective alpha 2B agonist ALLERGAN, INC. (US) 2010-11-09 US disclosed
WO-2009089284-A2 SUBSTITUTED 2-AMINOTETRALIN DERIVATIVES AS SELECTIVE ALPHA 2B AGONIST ALLERGAN, INC. (US) 2009-07-16 WO disclosed
US-20090176845-A1 SUBSTITUTED 2-AMINOTETRALIN DERIVATIVES AS SELECTIVE ALPHA 2B AGONIST ALLERGAN, INC. 2009-07-09 US disclosed
US-20090111834-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX, INC. 2009-04-30 US disclosed
US-7476399-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof SENOMYX INC. (US) 2009-01-13 US disclosed
US-20080293674-A1 Azinyl Imidazoazine and Azinyl Carboxamide BAYER CROPSCIENCE AG (DE) 2008-11-27 US disclosed
CN-1980926-A Azinyl imidazoazine and azinyl carboxamide BAYER CROPSCIENCE AG (DE) 2007-06-13 CN disclosed
US-20060045953-A1 Aromatic amides and ureas and their uses as sweet and/or umami flavor modifiers, tastants and taste enhancers SENOMYX, INC. 2006-03-02 US disclosed
US-20050084506-A1 Amide compounds such as (R)-methyl 2-(3-chloro-4-methoxybenzamido)-4-methylpentanoate and urea compounds such as 1-(2-chlorophenyl)-3-(heptan-4-yl)urea for modulating taste of food or drug products FIRMENICH INCORPORATED 2005-04-21 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 (10 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-20080293674-A1 Azinyl Imidazoazine and Azinyl Carboxamide AZI2, NISCH, ZYX KCNA5 334/4885CYP2D6 1089/4885KCNE1 936/4885
US-10060909-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS1R2, TAS1R1, TAS2R40 KCNA5 1834/4885CYP2D6 3907/4885KCNE1 1457/4885
US-20090176845-A1 SUBSTITUTED 2-AMINOTETRALIN DERIVATIVES AS SELECTIVE ALPHA 2B AGONIST ADRA2B, ADRA1B, ADRB2 KCNA5 1170/4885CYP2D6 368/4885KCNE1 1714/4885
US-20200225217-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R40 KCNA5 2158/4885CYP2D6 4048/4885KCNE1 1701/4885
US-10557845-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS1R2, TAS1R1, TAS2R40 KCNA5 1834/4885CYP2D6 3907/4885KCNE1 1457/4885
US-20180364220-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 KCNA5 2096/4885CYP2D6 4053/4885KCNE1 1688/4885
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 KCNA5 2096/4885CYP2D6 4053/4885KCNE1 1688/4885
US-20090111834-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 KCNA5 2096/4885CYP2D6 4053/4885KCNE1 1688/4885
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS2R40, TAS1R2, TAS1R1 KCNA5 1892/4885CYP2D6 3945/4885KCNE1 1485/4885
US-20050084506-A1 Amide compounds such as (R)-methyl 2-(3-chloro-4-methoxybenzamido)-4-methylpentanoate and urea compounds such as 1-(2-chlorophenyl)-3-(heptan-4-yl)urea for modulating taste of food or drug products TAS2R40, TAS2R4, TAS2R30 KCNA5 1434/4885CYP2D6 3126/4885KCNE1 2739/4885

“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.