SCHEMBL701235

SCHEMBL701235

CC(CN)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.48
▸ TAAR1 Q96RJ0 2/20 0.48
▸ KCNA5 P22460 6/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ SLC6A2 P23975 2/20 0.45
▸ SLC6A4 P31645 2/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ KCNE1 P15382 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ SCN1A P35498 1/20 0.42
▸ SCN2A Q99250 1/20 0.42
▸ SCN3A Q9NY46 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ CXCR4 P61073 3/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.40

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
SCHEMBL30498939 1.00 TSHR (0.48) TSHRTAAR1KCNA5KCNH2SLC6A2
SCHEMBL14928666 1.00 TSHR (0.48) TSHRTAAR1KCNA5KCNH2SLC6A2
SCHEMBL19101954 0.82 TSHR (0.47) TSHRTAAR1KCNA5KCNH2SLC6A2
SCHEMBL10247782 0.81 KCNA5 (0.52) TSHRKCNA5KCNH2SLC6A2SLC6A4
SCHEMBL817770 0.81 KCNA5 (0.52) TSHRKCNA5KCNH2SLC6A2SLC6A4
SCHEMBL13862942 0.81 KCNA5 (0.52) TSHRKCNA5KCNH2SLC6A2SLC6A4
SCHEMBL13638230 0.81 KCNA5 (0.52) TSHRKCNA5KCNH2SLC6A2SLC6A4
SCHEMBL7914310 0.80 TAAR1 (0.52) TSHRTAAR1KCNA5KCNH2SLC6A2
SCHEMBL22275776 0.80 CXCR4 (0.48) TSHRKCNA5KCNH2SLC6A2SLC6A4
SCHEMBL23689568 0.79 TSHR (0.48) TSHRKCNA5KCNH2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790900-B2 Method for producing an optically active nitro compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-07 — — US claimed
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
WO-2022038116-A1 N-HYDROXYCARBOXAMIDE DERIVATIVES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY KANCERA AB (SE) 2022-02-24 — — WO disclosed
CN-112480121-A Polycyclic derivative and preparation thereof 四川海思科制药有限公司 2021-03-12 — — CN 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-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
WO-2006036670-A1 SULFONAMIDE COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 — — WO 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
WO-2005041684-A2 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX INC. (US) 2005-05-12 — — WO 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
WO-2005011681-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 — — WO disclosed
US-6368573-B1 MEASURING MYOCARDIAL FUNCTION IN MAMMAL KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2002-04-09 — — US disclosed
EP-0690857-A1 CYCLIC AMIDE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDAL COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 1996-01-10 — — EP disclosed
WO-1994013665-A1 CYCLIC AMIDE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDAL COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA LTD. (JP) 1994-06-23 — — WO disclosed
US-4006239-A Benzoic acid amides for mycobacterium infections BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 — — US disclosed
US-3995044-A Pyridine carboxylic acid amides for mycobacterium infections BAYER AKTIENGESELLSCHAFT (DT) 1976-11-30 — — 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 (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-10060909-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS1R2, TAS1R1, TAS2R40 TSHR 2052/4885TAAR1 142/4885KCNA5 1834/4885
US-20200225217-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R40 TSHR 2102/4885TAAR1 147/4885KCNA5 2158/4885
US-10557845-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS1R2, TAS1R1, TAS2R40 TSHR 2052/4885TAAR1 142/4885KCNA5 1834/4885
US-20180364220-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 TSHR 2128/4885TAAR1 149/4885KCNA5 2096/4885
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 TSHR 2128/4885TAAR1 149/4885KCNA5 2096/4885
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS2R40, TAS1R2, TAS1R1 TSHR 2101/4885TAAR1 145/4885KCNA5 1892/4885
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 TSHR 2597/4885TAAR1 480/4885KCNA5 1434/4885

“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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