SCHEMBL18301367

SCHEMBL18301367

O=C1CCC(c2cccnc2)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.49
KDM4E B2RXH2 2/20 0.48
CYP3A4 P08684 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
THRB P10828 1/20 0.48
TSHR P16473 1/20 0.48
THPO P40225 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CHRNB2 P17787 3/20 0.46
CHRNA4 P43681 3/20 0.46
CYP11B2 P19099 1/20 0.46
CHRNA7 P36544 2/20 0.42
LDHA P00338 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL28585101 1.00 CYP2A6 (0.49) CYP2A6KDM4ECYP3A4MEN1KMT2A
SCHEMBL982856 0.78 TSHR (0.46) KDM4ETSHRSMN1; SMN2
SCHEMBL9012682 0.78 TSHR (0.46) KDM4ETSHRSMN1; SMN2
SCHEMBL7339250 0.78 TSHR (0.46) KDM4ETSHRSMN1; SMN2
SCHEMBL9377126 0.78 MAOB (0.52) CYP2A6KDM4ECYP3A4THRBTSHR
SCHEMBL10902090 0.76 CYP11B2 (0.50) CYP2A6CYP3A4CHRNB2CHRNA4CYP11B2
SCHEMBL4453374 0.74 CYP11B2 (0.44) CYP2A6KDM4ECYP3A4MEN1KMT2A
SCHEMBL5021231 0.73 CHRNB2 (0.46) CYP2A6KDM4ECYP3A4MEN1KMT2A
SCHEMBL10243298 0.73 CHRNB2 (0.46) CYP2A6KDM4ECYP3A4MEN1KMT2A
SCHEMBL28978626 0.72 MAOB (0.41) KDM4ETSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115340525-A Method for producing and processing synthetic nicotine 陕西雷曼生物科技有限公司 2022-11-15 CN claimed
CN-113121496-A Method for preparing bioactive (S) - (-) -nicotine 刘双红 2021-07-16 CN claimed
US-20240245099-A1 AEROSOL-GENERATING ARTICLE WITH BIOMARKER SENSOR PHILIP MORRIS PRODUCTS S.A. (CH) 2024-07-25 US disclosed
EP-4340648-A1 AEROSOL-GENERATING ARTICLE WITH BIOMARKER SENSOR Philip Morris Products S.A. (CH) 2024-03-27 EP disclosed
CN-114276204-B Preparation method of (S) - (-) -nicotine 大庆雾泰化工科技有限公司 2024-02-27 CN disclosed
CN-117295412-A Aerosol-generating article with biomarker sensor 菲利普莫里斯生产公司 2023-12-26 CN disclosed
WO-2022243270-A1 MOUTHPIECE WITH CAPILLARY CHANNEL FOR AN AEROSOL-GENERATING DEVICE PHILIP MORRIS PRODUCTS S.A. (CH) 2022-11-24 WO disclosed
WO-2022243271-A1 AEROSOL-GENERATING ARTICLE WITH BIOMARKER SENSOR PHILIP MORRIS PRODUCTS S.A. (CH) 2022-11-24 WO disclosed
CN-115340525-A Method for producing and processing synthetic nicotine 陕西雷曼生物科技有限公司 2022-11-15 CN disclosed
CN-114276204-A Preparation method of (S) - (-) -nicotine 大庆雾泰化工科技有限公司 2022-04-05 CN disclosed
CN-113121496-A Method for preparing bioactive (S) - (-) -nicotine 刘双红 2021-07-16 CN disclosed
CN-107666836-B Biological control in electronic smoking articles 菲利普莫里斯生产公司 2021-06-08 CN disclosed
US-10687556-B2 Biological control in electronic smoking articles PHILIP MORRIS PRODUCTS S.A. (CH) 2020-06-23 US disclosed
CN-110256403-B Method for preparing artificial synthetic nicotine 深圳市馨艺坊生物科技有限公司 2020-06-19 CN disclosed
EP-3307362-B1 BIOLOGICAL CONTROL IN ELECTRONIC SMOKING ARTICLES PHILIP MORRIS PRODUCTS SA (CH) 2020-02-19 EP disclosed
US-20180140016-A1 BIOLOGICAL CONTROL IN ELECTRONIC SMOKING ARTICLES PHILIP MORRIS PRODUCTS S.A. (CH) 2018-05-24 US disclosed
EP-3307362-A1 BIOLOGICAL CONTROL IN ELECTRONIC SMOKING ARTICLES Philip Morris Products S.a.s. (CH) 2018-04-18 EP disclosed
WO-2016199062-A1 BIOLOGICAL CONTROL IN ELECTRONIC SMOKING ARTICLES PHILIP MORRIS PRODUCTS S.A. (CH) 2016-12-15 WO disclosed