SCHEMBL21074265

SCHEMBL21074265

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC18A3 Q16572 2/20 0.43
ALDH1A1 P00352 5/20 0.41
GAA P10253 4/20 0.41
APP P05067 1/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
SARM1 Q6SZW1 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
SIRT4 Q9Y6E7 1/20 0.40

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
SCHEMBL6954439 0.92 L3MBTL1 (0.44) MAPTL3MBTL1KDM4EMEN1KMT2A
SCHEMBL24344607 0.83 HTR1F (0.34) L3MBTL1SLC18A3ALDH1A1
SCHEMBL20872459 0.83 MCL1 (0.44) MAPTMEN1KMT2AALDH1A1GAA
Ethyl Nicotinate SCHEMBL22437571 0.82 GAA (0.42) MAPTL3MBTL1KDM4EMEN1KMT2A
SCHEMBL11976727 0.82 GAA (0.42) MAPTL3MBTL1KDM4EMEN1KMT2A
SCHEMBL11903904 0.82 GAA (0.42) MAPTL3MBTL1KDM4EMEN1KMT2A
SCHEMBL11903908 0.82 GAA (0.42) MAPTL3MBTL1KDM4EMEN1KMT2A
SCHEMBL6964086 0.80 KDM4E (0.49) MAPTL3MBTL1KDM4EMEN1KMT2A
SCHEMBL19464267 0.80 KDM4E (0.49) MAPTL3MBTL1KDM4EMEN1KMT2A
SCHEMBL15437829 0.78 KDM4E (0.48) MAPTL3MBTL1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11407730-B2 Preparation of racemic nicotine by reaction of ethyl nicotinate with N-vinylpyrrolidone in the presence of an alcoholate base and subsequent process steps SIEGFRIED AG (CH) 2022-08-09 US claimed
EP-3728215-B1 ONE-POT PROCESS FOR THE PREPARATION OF RACEMIC NICOTINE BY REACTION OF ETHYL NICOTINATE WITH N-VINYLPYRROLIDONE IN THE PRESENCE OF SODIUM ETHANOLATE OR POTASSIUM ETHANOLATE OR MIXTURES THEREOF SIEGFRIED AG (CH) 2021-10-13 EP claimed
US-11091458-B2 2021-08-17 US claimed
US-20200331884-A1 PREPARATION OF RACEMIC NICOTINE BY REACTION OF ETHYL NICOTINATE WITH N-VINYLPYRROLIDONE IN THE PRESENCE OF AN ALCOHOLATE BASE AND SUBSEQUENT PROCESS STEPS SIEGFRIED AG (CH) 2020-10-22 US claimed
CN-111511726-A Preparation of racemic nicotine by reaction of ethyl nicotinate with N-vinylpyrrolidone in the Presence of an alcoholate base and subsequent processing steps 斯福瑞股份有限公司 2020-08-07 CN claimed
US-20250163020-A1 Chiral Synthesis of Nornicotine and Nicotine SIEGFRIED AG (CH) 2025-05-22 US disclosed
EP-4540239-A1 CHIRAL SYNTHESIS OF NORNICOTINE AND NICOTINE Siegfried AG (CH) 2025-04-23 EP disclosed
CN-113999084-B Synthesis and preparation method of (S) - (-) -nicotine 成昌梅 2024-04-16 CN disclosed
WO-2024047152-A1 CHIRAL SYNTHESIS OF NORNICOTINE AND NICOTINE SIEGFRIED AG (CH) 2024-03-07 WO disclosed
EP-4332098-A1 CHIRAL SYNTHESIS OF NORNICOTINE AND NICOTINE Siegfried AG (CH) 2024-03-06 EP disclosed
EP-4328221-A1 PREPARATION METHOD OF L-NICOTINE HUANGGANG ZY BIOTECHNOLOGY CO., LTD. (CN) 2024-02-28 EP disclosed
CN-113999201-B Synthesis and preparation method of nicotine 成昌梅 2023-11-03 CN disclosed
EP-3728215-A1 PREPARATION OF RACEMIC NICOTINE BY REACTION OF ETHYL NICOTINATE WITH N-VINYLPYRROLIDONE IN THE PRESENCE OF AN ALCOHOLATE BASE AND SUBSEQUENT PROCESS STEPS Siegfried AG (CH) 2020-10-28 EP disclosed
EP-3728215-A1 PREPARATION OF RACEMIC NICOTINE BY REACTION OF ETHYL NICOTINATE WITH N-VINYLPYRROLIDONE IN THE PRESENCE OF AN ALCOHOLATE BASE AND SUBSEQUENT PROCESS STEPS Siegfried AG (CH) 2020-10-28 EP disclosed
US-20200331884-A1 PREPARATION OF RACEMIC NICOTINE BY REACTION OF ETHYL NICOTINATE WITH N-VINYLPYRROLIDONE IN THE PRESENCE OF AN ALCOHOLATE BASE AND SUBSEQUENT PROCESS STEPS SIEGFRIED AG (CH) 2020-10-22 US disclosed
US-20200331884-A1 PREPARATION OF RACEMIC NICOTINE BY REACTION OF ETHYL NICOTINATE WITH N-VINYLPYRROLIDONE IN THE PRESENCE OF AN ALCOHOLATE BASE AND SUBSEQUENT PROCESS STEPS SIEGFRIED AG (CH) 2020-10-22 US disclosed
US-20200331884-A1 PREPARATION OF RACEMIC NICOTINE BY REACTION OF ETHYL NICOTINATE WITH N-VINYLPYRROLIDONE IN THE PRESENCE OF AN ALCOHOLATE BASE AND SUBSEQUENT PROCESS STEPS SIEGFRIED AG (CH) 2020-10-22 US disclosed
CN-111511726-A Preparation of racemic nicotine by reaction of ethyl nicotinate with N-vinylpyrrolidone in the Presence of an alcoholate base and subsequent processing steps 斯福瑞股份有限公司 2020-08-07 CN disclosed
CN-111511726-A Preparation of racemic nicotine by reaction of ethyl nicotinate with N-vinylpyrrolidone in the Presence of an alcoholate base and subsequent processing steps 斯福瑞股份有限公司 2020-08-07 CN disclosed
WO-2019121644-A1 PREPARATION OF RACEMIC NICOTINE BY REACTION OF ETHYL NICOTINATE WITH N-VINYLPYRROLIDONE IN THE PRESENCE OF AN ALCOHOLATE BASE AND SUBSEQUENT PROCESS STEPS SIEGFRIED AG (CH) 2019-06-27 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 (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-20250163020-A1 Chiral Synthesis of Nornicotine and Nicotine NNMT, SLC6A12, HNMT MAPT 1558/4885L3MBTL1 3572/4885KDM4E 1089/4885
US-20200331884-A1 PREPARATION OF RACEMIC NICOTINE BY REACTION OF ETHYL NICOTINATE WITH N-VINYLPYRROLIDONE IN THE PRESENCE OF AN ALCOHOLATE BASE AND SUBSEQUENT PROCESS STEPS NNMT, NAPRT, NAMPT MAPT 2239/4885L3MBTL1 4622/4885KDM4E 1110/4885
US-11091458-B2 NNMT, CHRNA5, NAPRT MAPT 2063/4885L3MBTL1 4488/4885KDM4E 1305/4885
US-11407730-B2 Preparation of racemic nicotine by reaction of ethyl nicotinate with N-vinylpyrrolidone in the presence of an alcoholate base and subsequent process steps NNMT, NAPRT, NAMPT MAPT 2239/4885L3MBTL1 4622/4885KDM4E 1110/4885

“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.