SCHEMBL702786

SCHEMBL702786

COc1ccc(NC(=O)n2cc3ccccc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.58
TAS1R1 Q7RTX1 1/20 0.58
TAS1R2 Q8TE23 1/20 0.58
MAPT P10636 4/20 0.58
NPC1 O15118 8/20 0.55
RAB9A P51151 8/20 0.55
CASP3 P42574 3/20 0.55
SENP7 Q9BQF6 2/20 0.55
BCHE P06276 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SENP6 Q9GZR1 1/20 0.54
PKM P14618 1/20 0.53
NFKB1 P19838 1/20 0.53
MAOB P27338 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL703043 0.82 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2MAPTNPC1
SCHEMBL3709539 0.79 MAPT (0.50) TAS1R3TAS1R1TAS1R2MAPTNPC1
SCHEMBL3706029 0.79 MAOA (0.53) MAPTNPC1RAB9ACASP3SENP7
SCHEMBL701869 0.79 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2MAPTNPC1
SCHEMBL701753 0.79 RAB9A (0.55) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL3710955 0.76 HDAC1 (0.37) TAS1R3TAS1R1TAS1R2MAPTNPC1
SCHEMBL3700860 0.75 NAMPT (0.58) TAS1R3TAS1R1TAS1R2MAPTNPC1
SCHEMBL3704418 0.75 CYP2C9 (0.43) MAPTNPC1RAB9ACASP3SENP7
SCHEMBL3705112 0.75 MAPK1 (0.47) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL17022509 0.75 AHR (0.55) TAS1R3TAS1R1TAS1R2MAPTNPC1

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-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-10352929-B2 T1R hetero-oligomeric taste receptors, cell lines that express said receptors, and taste compounds SENOMYX, INC. (US) 2019-07-16 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-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-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-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 2/4885TAS1R2 1/4885
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 1/4885TAS1R2 2/4885
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 2/4885TAS1R2 1/4885
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 2/4885TAS1R2 1/4885
US-10352929-B2 T1R hetero-oligomeric taste receptors, cell lines that express said receptors, and taste compounds TAS1R2, TAS1R1, TAS2R1 TAS1R3 4/4885TAS1R1 2/4885TAS1R2 1/4885
US-20180003702-A1 T1R HETERO-OLIGOMERIC TASTE RECEPTORS, CELL LINES THAT EXPRESS SAID RECEPTORS, AND TASTE COMPOUNDS TAS1R2, TAS1R1, TAS2R1 TAS1R3 4/4885TAS1R1 2/4885TAS1R2 1/4885
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 TAS1R3 5/4885TAS1R1 2/4885TAS1R2 1/4885
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 2/4885TAS1R2 1/4885
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 11/4885TAS1R2 7/4885

“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.