SCHEMBL166107

SCHEMBL166107

O=NN1CCC[C@H]1c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
CHRNA7 P36544 5/20 0.63
CHRNB2 P17787 4/20 0.63
CHRNA4 P43681 4/20 0.63
CHRNB4 P30926 2/20 0.63
CHRNA3 P32297 2/20 0.63
CHRNA2 Q15822 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
LMNA P02545 1/20 0.63
HTR3E A5X5Y0 1/20 0.63
PSIP1 O75475 1/20 0.63
TRPA1 O75762 1/20 0.63
HTR3B O95264 1/20 0.63
CHRNA1 P02708 1/20 0.63
CHRNG P07510 1/20 0.63
MAPT P10636 1/20 0.63
CHRNB1 P11230 1/20 0.63
CYP2A6 P11509 1/20 0.63
PTGS1 P23219 1/20 0.63
CHRNA5 P30532 1/20 0.63

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
SCHEMBL12894032 1.00 ALDH1A1 (1.00) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL14113737 1.00 ALDH1A1 (1.00) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL29429735 1.00 ALDH1A1 (1.00) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL29349441 1.00 ALDH1A1 (1.00) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL29350350 0.95 ALDH1A1 (0.91) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL4538641 0.95 ALDH1A1 (0.91) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL19958134 0.82 ALDH1A1 (0.69) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
Nicotine SCHEMBL1206396 0.80 ALDH1A1 (0.83) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
(+/-)Nicotine SCHEMBL28179049 0.80 ALDH1A1 (0.83) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL23181386 0.78 CHRNA7 (0.67) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122084340-A N-nitrosonornicotine (NNN) purity standard substance, preparation method and application thereof 2026-05-26 CN claimed
CN-122084338-A N-nitrosamine mixed solution standard substance and preparation method thereof 2026-05-26 CN claimed
US-12628862-B2 Liquid tobacco extract, method for making and aerosol-generating articles comprising such PHILIP MORRIS PRODUCTS S.A. (CH) 2026-05-19 US claimed
US-12544025-B2 Determining a biological tissue structural marker for diagnosis of a disease Arion Diagnostics, Inc. (US) 2026-02-10 US claimed
US-20260026543-A1 TOBACCO FLAVOURED DRY POWDER FORMULATION PHILIP MORRIS PRODUCTS SA (CH) 2026-01-29 US claimed
US-12497627-B2 BZIP transcription factors regulate conversion of nicotine to nornicotine UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2025-12-16 US claimed
CN-116083293-B Bacillus bailii DX-32 for efficiently degrading nitrite and TSNAs and application thereof 中国烟草总公司郑州烟草研究院 2025-04-18 CN claimed
EP-3482641-B1 TOBACCO RAW MATERIAL BRITISH AMERICAN TOBACCO SWEDEN AB (SE) 2025-01-01 EP claimed
EP-4442128-A1 SMOKELESS TOBACCO POUCH R. J. Reynolds Tobacco Company (US) 2024-10-09 EP claimed
CN-115736307-B Preparation method and application of ginger charcoal nano-class component with scorched fragrance 昆明理工大学 2024-09-13 CN claimed
WO-2007072231-A2 METAL-CONTAINING NANOWIRES PREPARED USING MESOPOROUS MOLECULAR SIEVES AS TEMPLATES, AND THEIR USE IN SMOKING ARTICLES PHILIP MORRIS PRODUCTS S.A. (CH) 2007-06-28 WO claimed
US-20070113862-A1 Oxidant/catalyst nanoparticles to reduce tobacco smoke constituents such as carbon monoxide PHILIP MORRIS USA INC. 2007-05-24 US claimed
US-7017585-B2 Oxidant/catalyst nanoparticles to reduce tobacco smoke constituents such as carbon monoxide PHILIP MORRIS USA INC. (US) 2006-03-28 US claimed
US-20050133047-A1 Smoking articles and filters with carbon-coated molecular sieve sorbent PHILIP MORRIS USA INC. 2005-06-23 US claimed
US-20050133048-A1 Amphiphile-modified sorbents in smoking articles and filters PHILIP MORRIS USA INC. 2005-06-23 US claimed
US-20050133054-A1 Composite mesoporous/microporous materials and their use in smoking articles for removing certain gas phase constituents from tobacco smoke PHILIP MORRIS USA INC. 2005-06-23 US claimed
WO-2004041008-A1 OXIDANT/CATALYST NANOPARTICLES TO REDUCE TOBACCO SMOKE CONSTITUENTS SUCH AS CARBON MONOXIDE PHILIP MORRIS PRODUCTS S.A. (CH) 2004-05-21 WO claimed
US-20040025895-A1 Oxidant/catalyst nanoparticles to reduce tobacco smoke constituents such as carbon monoxide PHILIP MORRIS USA INC. 2004-02-12 US claimed
US-20030131859-A1 Oxidant/catalyst nanoparticles to reduce tobacco smoke constituents such as carbon monoxide PHILIP MORRIS USA INC. 2003-07-17 US claimed
US-5803081-A Tobacco and related products REGENT COURT TECHNOLOGIES (US) 1998-09-08 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-12628862-B2 Liquid tobacco extract, method for making and aerosol-generating articles comprising such NDUFB10, EXOSC10, NDUFB7 ALDH1A1 990/4885CHRNA7 84/4885CHRNB2 242/4885
US-20260026543-A1 TOBACCO FLAVOURED DRY POWDER FORMULATION CTNND1, IL17A, TAS2R20 ALDH1A1 726/4885CHRNA7 121/4885CHRNB2 205/4885
US-12544025-B2 Determining a biological tissue structural marker for diagnosis of a disease KRT18, DSP, COL14A1 ALDH1A1 1034/4885CHRNA7 2645/4885CHRNB2 620/4885

“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.