SCHEMBL657443

SCHEMBL657443

Cc1ccc(CCN)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.47
TAAR1 Q96RJ0 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
NOS3 P29474 1/20 0.46
NOS2 P35228 1/20 0.46
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PDE10A Q9Y233 1/20 0.42
HRH4 Q9H3N8 3/20 0.41
ADORA2A P29274 2/20 0.40
CXCR4 P61073 3/20 0.40
HRH3 Q9Y5N1 2/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
MTOR P42345 1/20 0.39
ADRA2A P08913 2/20 0.38

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
Hydrochloric Acid SCHEMBL2065576 0.98 HRH1 (0.45) HRH1TAAR1CYP1A2CYP2A6NOS3
SCHEMBL18682734 0.86 CCR1 (0.52) CYP2A6NOS3NOS2CCR1CCR5
SCHEMBL10703321 0.86 HRH1 (0.50) HRH1TAAR1CYP1A2CYP2A6NOS3
SCHEMBL1631010 0.82
SCHEMBL29452043 0.82
SCHEMBL991122 0.80 CCR1 (0.46) CYP1A2NOS3NOS2CCR1CCR5
Hydrochloric Acid SCHEMBL6444667 0.80 NOS3 (0.48) TAAR1CYP1A2CYP2A6NOS3NOS2
Hydrochloric Acid SCHEMBL13732444 0.80 NOS3 (0.48) TAAR1CYP1A2CYP2A6NOS3NOS2
SCHEMBL9375877 0.79 GFER (0.50) TAAR1CYP1A2CYP2A6NOS3NOS2
SCHEMBL22406678 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3235811-B1 PROCESS OF PREPARING OXALAMIDES SENOMYX INC (US) 2018-07-25 EP claimed
US-20090280230-A1 COMESTIBLE COMPOSITIONS COMPRISING HIGH POTENCY SAVORY FLAVORANTS, AND PROCESSES FOR PRODUCING THEM SENOMYX, INC. 2009-11-12 US claimed
US-12577247-B2 Diaminopyrazolo[1,5-a]pyrimidine-6-carbonitrile compounds as adenosine 2A receptor and adenosine 2B receptor antagonist Bugworks Research, Inc. (US) 2026-03-17 US disclosed
EP-3398452-B1 COMESTIBLE COMPOSITIONS COMPRISING HIGH POTENCY SAVORY FLAVORANTS FIRMENICH INCORPORATED (US) 2024-10-02 EP disclosed
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST Bugworks Research, Inc. 2023-06-01 US disclosed
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST Bugworks Research, Inc. 2023-06-01 US disclosed
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST Bugworks Research, Inc. 2023-06-01 US disclosed
CN-115867553-A Diaminopyrazolo [1,5-a ] pyrimidine-6-carbonitrile compounds as adenosine 2A receptor and adenosine 2B receptor antagonists 巴格沃克斯研究有限公司 2023-03-28 CN disclosed
EP-4121431-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST Bugworks Research, Inc. (US) 2023-01-25 EP disclosed
US-20220362396-A1 AMINO-PYRAZINECARBOXAMIDE COMPOUNDS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2022-11-17 US disclosed
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-20060246102-A1 N-'2-(2-pyridinyl) ethylbenzamide compounds and their use as fungicides BAYER SAS (FR) 2006-11-02 US disclosed
WO-2006084246-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS SENOMYX, INC. (US) 2006-08-10 WO disclosed
EP-1659881-A2 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF Senomyx Inc. (US) 2006-05-31 EP disclosed
EP-1651604-A2 N-¬2-(2-PYRIDINYL)ETHYL|BENZAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDES Bayer CropScience S.A. (FR) 2006-05-03 EP 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-2005014545-A2 N-′2-(2-PYRIDINYL) ETHYLBENZAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE S.A. (FR) 2005-02-17 WO disclosed
EP-1500651-A1 N-[2-(2-Pyridinyl)ethyl]benzamide compounds and their use as fungicides Bayer CropScience S.A. (FR) 2005-01-26 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 (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-20060246102-A1 N-'2-(2-pyridinyl) ethylbenzamide compounds and their use as fungicides CYP1A2, CYP4B1, CYP1B1 HRH1 2155/4885TAAR1 3813/4885CYP1A2 1/4885
US-12577247-B2 Diaminopyrazolo[1,5-a]pyrimidine-6-carbonitrile compounds as adenosine 2A receptor and adenosine 2B receptor antagonist ADORA1, ADORA3, ADORA2A HRH1 126/4885TAAR1 72/4885CYP1A2 168/4885
US-20220362396-A1 AMINO-PYRAZINECARBOXAMIDE COMPOUNDS, CONJUGATES, AND USES THEREOF TGFBR2, SMAD2, ACVR2A HRH1 319/4885TAAR1 903/4885CYP1A2 1624/4885
US-20090280230-A1 COMESTIBLE COMPOSITIONS COMPRISING HIGH POTENCY SAVORY FLAVORANTS, AND PROCESSES FOR PRODUCING THEM TAS1R1, TAS1R2, GRM1 HRH1 1492/4885TAAR1 130/4885CYP1A2 4424/4885
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 HRH1 1427/4885TAAR1 149/4885CYP1A2 4191/4885
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 HRH1 1020/4885TAAR1 480/4885CYP1A2 4397/4885
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST ADORA2A, ADORA2B, ADORA1 HRH1 567/4885TAAR1 176/4885CYP1A2 143/4885

“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.