SCHEMBL95794

SCHEMBL95794

COc1cc(C)ccc1CN

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.56
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 4/20 0.47
MAPK1 P28482 3/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MPO P05164 1/20 0.44
TAAR1 Q96RJ0 3/20 0.44
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43

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 SCHEMBL2064312 0.98 ACHE (0.54) ACHEALDH1A1CYP3A4MAPTMAPK1
Hydrochloric Acid SCHEMBL31157559 0.98 ACHE (0.54) ACHEALDH1A1CYP3A4MAPTMAPK1
SCHEMBL17769110 0.84 TAAR1 (0.59) ACHETAAR1
SCHEMBL2386941 0.83 ACHE (0.56) ACHEALDH1A1CYP3A4MAPTMAPK1
SCHEMBL22566468 0.83 ACHE (0.60) ACHEALDH1A1CYP3A4MAPTMAPK1
Hydrochloric Acid SCHEMBL857370 0.82 ACHE (0.54) ACHEALDH1A1CYP3A4MAPTMAPK1
SCHEMBL10187102 0.81 L3MBTL1 (0.60) ACHEALDH1A1CYP3A4MAPTMAPK1
SCHEMBL14915784 0.80 L3MBTL1 (0.45) ACHEALDH1A1CYP3A4MAPTMAPK1
SCHEMBL8231646 0.79 ACHE (0.56) ACHEALDH1A1CYP3A4MAPTMAPK1
SCHEMBL11211872 0.79 KDM4E (0.50) ALDH1A1MAPTMAPK1GAATSHR

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 124 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
CN-105152940-A Comestible compositions comprising high potency savory flavorants, and processes for producing them SENOMYX INC 2015-12-16 CN claimed
CN-102311352-B Synthesis method for 2-methoxy-4-methylbenzylamine SHANGHAI INST TECHNOLOGY 2013-10-16 CN claimed
US-8148536-B2 Comestible compositions comprising high potency savory flavorants, and processes for producing them SENOMYX, INC. (US) 2012-04-03 US claimed
US-20090280230-A1 COMESTIBLE COMPOSITIONS COMPRISING HIGH POTENCY SAVORY FLAVORANTS, AND PROCESSES FOR PRODUCING THEM SENOMYX, INC. 2009-11-12 US claimed
EP-2010009-A2 COMESTIBLE COMPOSITIONS COMPRISING HIGH POTENCY SAVORY FLAVORANTS, AND PROCESSES FOR PRODUCING THEM Senomyx, Inc. (US) 2009-01-07 EP claimed
WO-2007124152-A2 COMESTIBLE COMPOSITIONS COMPRISING HIGH POTENCY SAVORY FLAVORANTS, AND PROCESSES FOR PRODUCING THEM SENOMYX, INC. (US) 2007-11-01 WO claimed
US-12606520-B2 Calpain-2 inhibitor compounds and methods of treatment WESTERN UNIVERSITY OF HEALTH SCIENCES (US) 2026-04-21 US disclosed
EP-3398452-B1 COMESTIBLE COMPOSITIONS COMPRISING HIGH POTENCY SAVORY FLAVORANTS FIRMENICH INCORPORATED (US) 2024-10-02 EP disclosed
US-11787785-B2 Pyrazolopyridine derivatives and uses thereof NOVARTIS AG (CH) 2023-10-17 US disclosed
US-20230128006-A1 SPIRO-LACTAM NMDA MODULATORS AND METHODS OF USING SAME APTINYX INC. 2023-04-27 US disclosed
US-20230091121-A1 CALPAIN-2 INHIBITOR COMPOUNDS AND METHODS OF TREATMENT UNITED STATES GOVERNMENT 2023-03-23 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
WO-2007124152-A2 COMESTIBLE COMPOSITIONS COMPRISING HIGH POTENCY SAVORY FLAVORANTS, AND PROCESSES FOR PRODUCING THEM SENOMYX, INC. (US) 2007-11-01 WO disclosed
EP-1848289-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS Senomyx, Inc. (US) 2007-10-31 EP 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
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

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-11787785-B2 Pyrazolopyridine derivatives and uses thereof HBZ, ZFX, WIZ ACHE 4474/4885ALDH1A1 1243/4885CYP3A4 2883/4885
US-20230091121-A1 CALPAIN-2 INHIBITOR COMPOUNDS AND METHODS OF TREATMENT CAPN2, CAPNS1, CAPN1 ACHE 916/4885ALDH1A1 3467/4885CYP3A4 4608/4885
US-12606520-B2 Calpain-2 inhibitor compounds and methods of treatment CAPN2, CAPN1, CAPNS1 ACHE 795/4885ALDH1A1 3630/4885CYP3A4 4357/4885
US-20230128006-A1 SPIRO-LACTAM NMDA MODULATORS AND METHODS OF USING SAME GRIN1, GRIN2A, GRIN2C ACHE 208/4885ALDH1A1 2935/4885CYP3A4 3031/4885
US-20090280230-A1 COMESTIBLE COMPOSITIONS COMPRISING HIGH POTENCY SAVORY FLAVORANTS, AND PROCESSES FOR PRODUCING THEM TAS1R1, TAS1R2, GRM1 ACHE 1571/4885ALDH1A1 698/4885CYP3A4 4326/4885
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 ACHE 722/4885ALDH1A1 1089/4885CYP3A4 3465/4885
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 ACHE 719/4885ALDH1A1 1936/4885CYP3A4 2119/4885

“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.