SCHEMBL703282

SCHEMBL703282

CCOc1ccc(C=CC(=O)NC(C)CC)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 6/20 1.00
▸ TAS1R1 Q7RTX1 6/20 1.00
▸ ALDH1A1 P00352 3/20 0.57
▸ EGFR P00533 1/20 0.56
▸ PTGS2 P35354 1/20 0.56
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ SLC5A1 P13866 1/20 0.53
▸ SLC5A2 P31639 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ ACACB O00763 1/20 0.53

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
SCHEMBL703281 1.00 TAS1R3 (1.00) TAS1R3TAS1R1ALDH1A1EGFRPTGS2
SCHEMBL23470214 0.87 TAS1R3 (0.78) TAS1R3TAS1R1PTGS2RAB9ASMN1; SMN2
SCHEMBL701223 0.87 TAS1R3 (0.78) TAS1R3TAS1R1ALDH1A1EGFRNPC1
SCHEMBL701222 0.87 TAS1R3 (0.78) TAS1R3TAS1R1ALDH1A1EGFRNPC1
SCHEMBL31611795 0.83 TAS1R3 (0.71) TAS1R3TAS1R1ALDH1A1EGFRNPC1
SCHEMBL31482428 0.82 TAS1R3 (0.69) TAS1R3TAS1R1ALDH1A1EGFRNPC1
SCHEMBL31389129 0.82 TAS1R3 (0.69) TAS1R3TAS1R1ALDH1A1EGFRNPC1
N-Sec-Butylcinnamamide SCHEMBL24740108 0.81 ALDH1A1 (0.69) TAS1R3TAS1R1ALDH1A1EGFRKMT2A
SCHEMBL31611855 0.81 TAS1R3 (0.79) TAS1R3TAS1R1ALDH1A1EGFRNPC1
SCHEMBL702133 0.79 TAS1R3 (1.00) TAS1R3TAS1R1ALDH1A1EGFRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10352929-B2 T1R hetero-oligomeric taste receptors, cell lines that express said receptors, and taste compounds SENOMYX, INC. (US) 2019-07-16 — — 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
US-20180003702-A1 T1R HETERO-OLIGOMERIC TASTE RECEPTORS, CELL LINES THAT EXPRESS SAID RECEPTORS, AND TASTE COMPOUNDS SENOMYX, INC. 2018-01-04 — — US disclosed
US-9459250-B2 Use of T1R3 venus flytrap region polypeptide to screen for taste modulators SENOMYX, INC. (US) 2016-10-04 — — US disclosed
US-9091686-B2 Chimeric T1R taste receptor polypeptides and nucleic acid sequences encoding and cell lines that express said chimeric T1R polypeptides SENOMYX, INC. (US) 2015-07-28 — — US disclosed
US-20150093339-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED 2015-04-02 — — US disclosed
US-20150064112-A1 USE OF T1R3 VENUS FLYTRAP REGION POLYPEPTIDE TO SCREEN FOR TASTE MODUALTORS SENOMYX, INC. 2015-03-05 — — US disclosed
US-8895050-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof SENOMYX, INC. (US) 2014-11-25 — — US disclosed
US-8846326-B2 — — 2014-09-30 — — US disclosed
US-20130336892-A1 CHIMERIC T1R TASTE RECEPTOR POLYPEPTIDES AND NUCLEIC ACID SEQUENCES ENCODING AND CELL LINES THAT EXPRESS SAID CHIMERIC T1R POLYPEPTIDES SENOMYX, INC. (US) 2013-12-19 — — US disclosed
US-8404455-B2 Chimeric T1R taste receptor polypeptides and nucleic acid sequences encoding and cell lines that express said chimeric T1R polypeptides SENOMYX, INC. (US) 2013-03-26 — — US disclosed
US-20120201763-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX, INC. (US) 2012-08-09 — — 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-20110294981-A1 CHIMERIC T1R TASTE RECEPTOR POLYPEPTIDES AND NUCLEIC ACID SEQUENCES ENCODING AND CELL LINES THAT EXPRESS SAID CHIMERIC T1R POLYPEPTIDES FIRMENICH INCORPORATED 2011-12-01 — — US disclosed
US-7888470-B2 Chimeric T1R taste receptor polypeptides and nucleic acid sequences encoding and cell lines that express said chimeric T1R polypeptides SENOMYX, INC. (US) 2011-02-15 — — 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-20080085994-A1 Chimeric binding protein for use in identifying compounds which respond to umami taste stimuli and sweet taste stimuli SENOMYX, INC. 2008-04-10 — — US 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 (9 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-10060909-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS1R2, TAS1R1, TAS2R40 TAS1R3 5/4885TAS1R1 2/4885ALDH1A1 959/4885
US-20110294981-A1 CHIMERIC T1R TASTE RECEPTOR POLYPEPTIDES AND NUCLEIC ACID SEQUENCES ENCODING AND CELL LINES THAT EXPRESS SAID CHIMERIC T1R POLYPEPTIDES TAS1R1, TAS1R2, TAS1R3 TAS1R3 3/4885TAS1R1 1/4885ALDH1A1 3627/4885
US-20150093339-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 TAS1R3 5/4885TAS1R1 2/4885ALDH1A1 1089/4885
US-20120201763-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 TAS1R3 5/4885TAS1R1 2/4885ALDH1A1 1089/4885
US-10352929-B2 T1R hetero-oligomeric taste receptors, cell lines that express said receptors, and taste compounds TAS1R2, TAS1R1, TAS2R1 TAS1R3 4/4885TAS1R1 2/4885ALDH1A1 3409/4885
US-20180003702-A1 T1R HETERO-OLIGOMERIC TASTE RECEPTORS, CELL LINES THAT EXPRESS SAID RECEPTORS, AND TASTE COMPOUNDS TAS1R2, TAS1R1, TAS2R1 TAS1R3 4/4885TAS1R1 2/4885ALDH1A1 3409/4885
US-20090111834-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 TAS1R3 5/4885TAS1R1 2/4885ALDH1A1 1089/4885
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 TAS1R3 17/4885TAS1R1 11/4885ALDH1A1 1936/4885
US-20080085994-A1 Chimeric binding protein for use in identifying compounds which respond to umami taste stimuli and sweet taste stimuli TAS1R3, TAS1R2, TAS2R30 TAS1R3 1/4885TAS1R1 4/4885ALDH1A1 3957/4885

“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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