SCHEMBL6964086

SCHEMBL6964086

CN1CCC(C(=O)c2cccnc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
SLC18A3 Q16572 1/20 0.45
GAA P10253 3/20 0.44
ALDH1A1 P00352 3/20 0.44
APP P05067 1/20 0.44
HCAR3 P49019 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.43
THPO P40225 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL19464267 1.00 KDM4E (0.49) KDM4EL3MBTL1MEN1MAPTKMT2A
SCHEMBL15437887 0.99 KDM4E (0.48) KDM4EL3MBTL1MEN1MAPTKMT2A
SCHEMBL15437879 0.99 KDM4E (0.48) KDM4EL3MBTL1MEN1MAPTKMT2A
SCHEMBL15437829 0.99 KDM4E (0.48) KDM4EL3MBTL1MEN1MAPTKMT2A
SCHEMBL28748482 0.80 SLC18A3 (0.46) KDM4EMEN1KMT2ASLC18A3ALDH1A1
SCHEMBL29606918 0.80 SLC18A3 (0.46) KDM4EMEN1KMT2ASLC18A3ALDH1A1
SCHEMBL21074265 0.80 MAPT (0.46) KDM4EL3MBTL1MEN1MAPTKMT2A
SCHEMBL22572549 0.79 L3MBTL1 (0.45) KDM4EL3MBTL1MEN1MAPTKMT2A
SCHEMBL14937184 0.78 BRD4 (0.43) MAPT
SCHEMBL11903908 0.77 GAA (0.42) KDM4EL3MBTL1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114216988-B Method for detecting related substances of 4- (methylamino) -1- (3-pyridyl) -1-butanone hydrochloride 珠海润都制药股份有限公司 2023-05-02 CN claimed
CN-114216988-A Method for detecting 4- (methylamino) -1- (3-pyridyl) -1-butanone hydrochloride related substances 珠海润都制药股份有限公司 2022-03-22 CN claimed
WO-2021056811-A1 IMINE SALT DERIVATIVE AND PREPARATION METHOD THEREFOR, AND PREPARATION METHOD FOR NICOTINE 深圳黑尔格科技有限公司 2021-04-01 WO claimed
CN-110627769-A Iminium salt derivative, process for producing the same, and process for producing nicotine 深圳黑尔格科技有限公司 2019-12-31 CN claimed
US-10329271-B2 Synthesis and resolution of nicotine NJOY, LLC (US) 2019-06-25 US claimed
US-20180030028-A1 SYNTHESIS AND RESOLUTION OF NICOTINE NJOY, LLC (US) 2018-02-01 US claimed
US-9809567-B2 Synthesis and resolution of nicotine NJOY, LLC (US) 2017-11-07 US claimed
US-20160326134-A1 SYNTHESIS AND RESOLUTION OF NICOTINE NJOY, INC. (US) 2016-11-10 US claimed
CN-102617547-B A kind of method preparing racemic nicotine TOPHARMAN SHANGHAI Co.,Ltd. (CN) 2016-02-10 CN claimed
US-8884021-B2 Process for preparing racemic nicotine TOPHARMAN SHANGHAI CO., LTD. (CN) 2014-11-11 US claimed
US-20140031554-A1 PROCESS FOR PREPARING RACEMIC NICOTINE TOPHARMAN SHANGHAI CO., LTD. (CN) 2014-01-30 US claimed
CN-102617547-A Method for preparing racemic nicotine TOPHARMAN SHANGHAI CO LTD 2012-08-01 CN claimed
CN-115449824-B Method for preparing raceme nicotine based on electrochemical reduction method 成都化润药业有限公司 2025-02-18 CN disclosed
CN-114216988-B Method for detecting related substances of 4- (methylamino) -1- (3-pyridyl) -1-butanone hydrochloride 珠海润都制药股份有限公司 2023-05-02 CN disclosed
WO-2023007712-A1 (R,S)-NICOTINE PRODUCTION METHOD 日本たばこ産業株式会社 2023-02-02 WO disclosed
WO-2023007710-A1 METHOD FOR PRODUCING (R,S)-NICOTINE 日本たばこ産業株式会社 2023-02-02 WO disclosed
CN-102617547-A Method for preparing racemic nicotine TOPHARMAN SHANGHAI CO LTD 2012-08-01 CN disclosed
EP-0787724-B1 NOVEL INTERMEDIATE FOR PRODUCTION AND PROCESS FOR PRODUCING PYRIDINE DERIVATIVE TAIHO PHARMACEUTICAL CO LTD (JP) 2003-04-16 EP disclosed
US-5734059-A Production intermediate and process for producing pyridine derivative TAIHO PHARMACEUTICAL CO., LTD. (JP) 1998-03-31 US disclosed
EP-0787724-A1 NOVEL INTERMEDIATE FOR PRODUCTION AND PROCESS FOR PRODUCING PYRIDINE DERIVATIVE TAIHO PHARMACEUTICAL CO., LTD. (JP) 1997-08-06 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 (4 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-20180030028-A1 SYNTHESIS AND RESOLUTION OF NICOTINE TMT1A, TST, NAPRT KDM4E 2045/4885L3MBTL1 1104/4885MEN1 4043/4885
US-10329271-B2 Synthesis and resolution of nicotine TMT1A, TST, NAPRT KDM4E 2045/4885L3MBTL1 1104/4885MEN1 4043/4885
US-20140031554-A1 PROCESS FOR PREPARING RACEMIC NICOTINE NAPRT, NNMT, NAMPT KDM4E 1525/4885L3MBTL1 4843/4885MEN1 4198/4885
US-20160326134-A1 SYNTHESIS AND RESOLUTION OF NICOTINE TMT1A, TST, NAPRT KDM4E 2045/4885L3MBTL1 1104/4885MEN1 4043/4885

“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.