SCHEMBL702928

SCHEMBL702928

Cc1ccc(N2CCc3ccccc3C2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 2/20 0.64
GRIN2D O15399 5/20 0.59
GRIN3B O60391 5/20 0.59
GRIN1 Q05586 5/20 0.59
GRIN2A Q12879 5/20 0.59
GRIN2B Q13224 5/20 0.59
GRIN2C Q14957 5/20 0.59
GRIN3A Q8TCU5 5/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 2/20 0.57
CHRM1 P11229 1/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
MAPT P10636 1/20 0.52
PRMT5 O14744 1/20 0.51
WDR77 Q9BQA1 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
SCHEMBL29977823 1.00 EED (0.64) EEDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12391616 0.91 EED (0.54) EEDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24921338 0.89 EED (0.53) EEDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31432954 0.86 MAPT (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13232537 0.86 MAPT (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24921996 0.85 EED (0.49) EEDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2600447 0.84 EED (0.72) EEDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10534812 0.84 ALDH1A1 (0.76) EEDGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL10535845 0.82 EED (0.70) EEDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8494183 0.81 EED (0.64) EEDGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109251173-B Method for catalyzing oxidation coupling of tetrahydroisoquinoline derivatives by hydrotalcite-like material 常州大学 2022-01-25 CN claimed
CN-111285804-B Method for synthesizing thioamide compound 广州中医药大学(广州中医药研究院) 2022-01-07 CN claimed
CN-111285804-A Method for synthesizing thioamide compound 广州中医药大学(广州中医药研究院) 2020-06-16 CN claimed
CN-117946001-A Method for coupling near infrared photocatalysis 2-benzene-1, 2,3, 4-tetrahydroisoquinoline compound and nucleophile 陕西师范大学 2024-04-30 CN disclosed
CN-116462683-A N-condensed ring indole compound and preparation method thereof 常州大学 2023-07-21 CN disclosed
CN-113264881-B Synthetic method of alpha-cyanide 南昌大学 2022-12-02 CN disclosed
CN-109251173-B Method for catalyzing oxidation coupling of tetrahydroisoquinoline derivatives by hydrotalcite-like material 常州大学 2022-01-25 CN disclosed
CN-111285804-B Method for synthesizing thioamide compound 广州中医药大学(广州中医药研究院) 2022-01-07 CN disclosed
CN-113264881-A Synthetic method of alpha-cyanide 南昌大学 2021-08-17 CN disclosed
CN-111285804-A Method for synthesizing thioamide compound 广州中医药大学(广州中医药研究院) 2020-06-16 CN 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
CN-103449945-A Visible light catalysis cross coupling hydrogen releasing method CHINESE ACAD TECH INST PHYSICS 2013-12-18 CN 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-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-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
US-4801593-A VIRICIDE FOR RHINITIS VIRUS CONTAINING 2-PHENYLTETRALIN DERIVATIVE BURROUGHS WELLCOME CO. (US) 1989-01-31 US disclosed
EP-0025598-B1 THE USE OF 2-PHENYLTETRALIN DERIVATIVES, OR HETEROCYCLIC ANALOGUES, IN MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1984-08-01 EP disclosed
EP-0025598-A1 The use of 2-phenyltetralin derivatives, or heterocyclic analogues, in medicine and pharmaceutical compositions containing them THE WELLCOME FOUNDATION LIMITED (GB) 1981-03-25 EP 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 (3 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 EED 4381/4885GRIN2D 2239/4885GRIN3B 828/4885
US-20090111834-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 EED 4363/4885GRIN2D 2057/4885GRIN3B 758/4885
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 EED 2862/4885GRIN2D 225/4885GRIN3B 101/4885

“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.