SCHEMBL2132874

SCHEMBL2132874

CCC(=O)C1=NCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NOS3 P29474 5/20 0.33
NOS1 P29475 5/20 0.33
NOS2 P35228 5/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
CYP2D6 P10635 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.32
CHRNB4 P30926 1/20 0.31

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
SCHEMBL2134321 0.94
SCHEMBL4572655 0.84 HSD17B3 (0.37) LMNAMAPTHPGDALDH1A1NOS3
SCHEMBL4572637 0.79 CYP2D6 (0.39) LMNAMAPTHPGDALDH1A1MEN1
SCHEMBL444695 0.76
SCHEMBL4674692 0.73
SCHEMBL14398018 0.71 HPGD (0.42) GAALMNAMAPTHPGDALDH1A1
SCHEMBL4572636 0.71 CYP2D6 (0.34) GAALMNAMAPTHPGDALDH1A1
SCHEMBL329231 0.69
SCHEMBL6429517 0.68 CYP1A2 (0.43) CYP1A2GAALMNAMAPTHPGD
SCHEMBL12186371 0.68

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117757572-A Glutinous rice leaf oil, preparation method and application thereof 广西中烟工业有限责任公司 2024-03-26 CN claimed
CN-121379730-A Tobacco spice with glutinous rice flavor and tea flavor and application thereof 中国烟草总公司郑州烟草研究院 2026-01-23 CN disclosed
CN-119164745-A Extraction method and analysis method of volatile aroma components in solid sample 中国烟草总公司郑州烟草研究院 2024-12-20 CN disclosed
CN-119144388-A Green-flavor type rice-flavor essence for cigarettes and application thereof 广西中烟工业有限责任公司 2024-12-17 CN disclosed
CN-119081772-A Tobacco essence with milk-flavored rice flavor and application thereof 广西中烟工业有限责任公司 2024-12-06 CN disclosed
CN-117757572-A Glutinous rice leaf oil, preparation method and application thereof 广西中烟工业有限责任公司 2024-03-26 CN disclosed
EP-2445874-B1 PROCESS OF PREPARATION OF 2-ACETYL-1-PYRROLINE AND A STABLE PRECURSOR THEREOF, ISOTOPICALLY LABELLED OR NOT CENTRE NAT DE LA RECH SCIENT (C N R S ) (FR) 2017-11-29 EP disclosed
EP-2445874-B1 PROCESS OF PREPARATION OF 2-ACETYL-1-PYRROLINE AND A STABLE PRECURSOR THEREOF, ISOTOPICALLY LABELLED OR NOT CENTRE NAT DE LA RECH SCIENT (C N R S ) (FR) 2017-11-29 EP disclosed
US-20150223501-A1 NOVEL FLAVOUR COMPOSITIONS WITH IMPROVED FLAVOUR AND/OR FLAVOUR SHELF-LIFE NESTEC S.A. (CH) 2015-08-13 US disclosed
US-8597706-B2 Method for synthesizing 2-acetyl-1-pyrroline, stable ketal precursors thereof, and isotopically marked analogs CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2013-12-03 US disclosed
US-20130303466-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-11-14 US disclosed
US-20130303466-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-11-14 US disclosed
EP-2445874-A1 METHOD FOR SYNTHESISING 2-ACETYL-1-PYRROLINE AND THE STABLE PRECURSOR THEREOF, OPTIONALLY ISOTOPICALLY MARKED Centre National De La Recherche Scientifique CNRS (FR) 2012-05-02 EP disclosed
US-20120100274-A1 METHOD FOR SYNTHESISING 2-ACETYL-1-PYRROLINE AND THE STABLE PRECURSOR THEREOF, OPTIONALLY ISOTOPICALLY MARKED UNIVERSITE DE MONTPELLIER (FR) 2012-04-26 US disclosed
US-20120100274-A1 METHOD FOR SYNTHESISING 2-ACETYL-1-PYRROLINE AND THE STABLE PRECURSOR THEREOF, OPTIONALLY ISOTOPICALLY MARKED UNIVERSITE DE MONTPELLIER (FR) 2012-04-26 US disclosed
US-20120100274-A1 METHOD FOR SYNTHESISING 2-ACETYL-1-PYRROLINE AND THE STABLE PRECURSOR THEREOF, OPTIONALLY ISOTOPICALLY MARKED UNIVERSITE DE MONTPELLIER (FR) 2012-04-26 US disclosed
WO-2012054527-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 WO disclosed
WO-2010149744-A1 METHOD FOR SYNTHESISING 2-ACETYL-1-PYRROLINE AND THE STABLE PRECURSOR THEREOF, OPTIONALLY ISOTOPICALLY MARKED CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-12-29 WO disclosed
WO-2010149744-A1 METHOD FOR SYNTHESISING 2-ACETYL-1-PYRROLINE AND THE STABLE PRECURSOR THEREOF, OPTIONALLY ISOTOPICALLY MARKED CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-12-29 WO 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 (2 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-20130303466-A1 Chemosensory Receptor Ligand-Based Therapies GPR119, TAS1R2, TAS2R1 CYP1A2 4702/4885GAA 2044/4885LMNA 4196/4885
US-20120100274-A1 METHOD FOR SYNTHESISING 2-ACETYL-1-PYRROLINE AND THE STABLE PRECURSOR THEREOF, OPTIONALLY ISOTOPICALLY MARKED SAT1, PDHA1, PTMS CYP1A2 908/4885GAA 2518/4885LMNA 2869/4885

“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.