SCHEMBL29349441

SCHEMBL29349441

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
SCHEMBL166107 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 524 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122084338-A N-nitrosamine mixed solution standard substance and preparation method thereof 2026-05-26 CN claimed
CN-122084340-A N-nitrosonornicotine (NNN) purity standard substance, preparation method and application thereof 2026-05-26 CN claimed
US-12638424-B2 Method for determining tobacco-specific nitrosamines (TSNAs) in cigarette smoke using one-step clean-up coupled with liquid chromatography-tandem mass spectrometry (LC-MS/MS) YUNNAN ACADEMY OF TOBACCO AGRICULTURAL SCIENCES (CN) 2026-05-26 US claimed
EP-2935588-B1 TOBACCO SPECIFIC NITROSAMINE REDUCTION IN PLANTS PHILIP MORRIS PRODUCTS SA (CH) 2026-03-25 EP claimed
US-12575601-B2 Reduction of amines and nitrosamines in cigarette smoke vapors through a filter functionalized with olive tree polyphenols MAGI'S LAB SRL (IT) 2026-03-17 US claimed
EP-4684652-A1 AEROSOL GENERATING MATERIAL Nicoventures Trading Limited (GB) 2026-01-28 EP claimed
EP-4423039-B1 POLYMER FREE AND LOW ODOR UREASE INHIBITOR FORMULATION WITH IMPROVED STORAGE STABILITY ON UREA BASF SE (DE) 2025-09-17 EP claimed
EP-4593641-A1 RECONSTITUTED TOBACCO SUBSTRATE FOR AEROSOL DELIVERY DEVICE Nicoventures Trading Limited (GB) 2025-08-06 EP claimed
EP-4311440-B1 FIBROUS FILTRATION MATERIAL FOR ELECTRONIC SMOKING ARTICLE RAI STRATEGIC HOLDINGS INC (US) 2025-07-02 EP claimed
US-20250026697-A1 POLYMER FREE AND LOW ODOR UREASE INHIBITOR FORMULATION WITH IMPROVED STORAGE STABILITY ON UREA BASF SE (DE) 2025-01-23 US claimed
US-11377665-B2 Composition and methods for producing tobacco plants and products having increased phenylalanine and reduced tobacco-specific nitrosamines (TSNAs) ALTRIA CLIENT SERVICES LLC (US) 2022-07-05 US claimed
CN-114641574-A Method for modifying alkaloid content in plants 英美烟草(投资)有限公司 2022-06-17 CN claimed
US-20220170035-A1 METHOD BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2022-06-02 US claimed
EP-3994267-A1 METHOD FOR MODIFYING ALKALOID CONTENT IN PLANTS British American Tobacco (Investments) Limited (GB) 2022-05-11 EP claimed
EP-3993611-A1 METHOD FOR MODULATING THE ALKALOID CONTENT OF A TOBACCO PLANT British American Tobacco (Investments) Limited (GB) 2022-05-11 EP claimed
CN-114402077-A Method 英美烟草(投资)有限公司 2022-04-26 CN claimed
EP-3979820-A1 LIQUID TOBACCO EXTRACT, METHOD FOR MAKING AND AEROSOL-GENERATING ARTICLES COMPRISING SUCH Philip Morris Products S.A. (CH) 2022-04-13 EP claimed
CN-114341360-A Method for modulating alkaloid content of tobacco plants 英美烟草(投资)有限公司 2022-04-12 CN claimed
CN-110958840-B Fibrous filter material for electronic smoking articles 莱战略控股公司 2022-04-12 CN claimed
EP-3969595-A1 METHOD British American Tobacco (Investments) Limited (GB) 2022-03-23 EP 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 (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-12575601-B2 Reduction of amines and nitrosamines in cigarette smoke vapors through a filter functionalized with olive tree polyphenols NNMT, NAT1, NAT10 ALDH1A1 441/4885CHRNA7 467/4885CHRNB2 858/4885
US-12638424-B2 Method for determining tobacco-specific nitrosamines (TSNAs) in cigarette smoke using one-step clean-up coupled with liquid chromatography-tandem mass spectrometry (LC-MS/MS) TYMS, NNMT, SRMS ALDH1A1 2748/4885CHRNA7 251/4885CHRNB2 436/4885

“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.