SCHEMBL157172

SCHEMBL157172

Cc1ccc(C2CCCN2C)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.62
CHRNB2 P17787 3/20 0.62
CHRNA4 P43681 3/20 0.62
ALDH1A1 P00352 2/20 0.62
CHRNB4 P30926 2/20 0.62
CHRNA3 P32297 2/20 0.62
CHRNA2 Q15822 2/20 0.62
LMNA P02545 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
HTR3E A5X5Y0 1/20 0.62
PSIP1 O75475 1/20 0.62
TRPA1 O75762 1/20 0.62
HTR3B O95264 1/20 0.62
CHRNA1 P02708 1/20 0.62
CHRNG P07510 1/20 0.62
MAPT P10636 1/20 0.62
CHRNB1 P11230 1/20 0.62
CYP2A6 P11509 1/20 0.62
PTGS1 P23219 1/20 0.62
CHRNA5 P30532 1/20 0.62

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
SCHEMBL30866542 1.00 CHRNA7 (0.62) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL29173751 1.00 CHRNA7 (0.62) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL5249340 1.00 CHRNA7 (0.62) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
SCHEMBL29506366 0.97 CHRNA7 (0.59) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
Acetic Acid SCHEMBL27199911 0.91 KDM4E (0.55) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
Acetic Acid SCHEMBL31344183 0.91 KDM4E (0.55) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
Glycerin SCHEMBL28748574 0.88 ALDH1A1 (0.50) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
Glycolic Acid SCHEMBL31460410 0.88 KDM4E (0.52) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
Succinic Acid SCHEMBL27606657 0.88 KDM4E (0.52) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4
Benzoic Acid SCHEMBL31344150 0.85 KDM4E (0.53) CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260107969-A1 AEROSOL GENERATING MATERIAL COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE COMPOUND RAI STRATEGIC HOLDINGS INC (US) 2026-04-23 US claimed
EP-4683527-A1 VAPORIZABLE ALKALOID COMPOSITIONS AND METHODS OF USE THEREOF Ready Mix Naturals, LLC (US) 2026-01-28 EP claimed
US-20250289796-A1 COMPOSITIONS AND METHODS OF USE THEREOF Ready Mix Naturals, LLC (US) 2025-09-18 US claimed
US-20250241354-A1 ORAL PRODUCTS RAI STRATEGIC HOLDINGS INC (US) 2025-07-31 US claimed
US-12358889-B2 Vaporizable alkaloid compositions and methods of use thereof Ready Mix Naturals, LLC (US) 2025-07-15 US claimed
US-12358888-B2 Vaporizable alkaloid compositions and methods of use thereof Ready Mix Naturals, LLC (US) 2025-07-15 US claimed
WO-2025118737-A1 NICOTINE REPLACEMENT LIQUID PREPARATION, AND PREPARATION METHOD THEREFOR AND USE THEREOF 思摩尔国际控股有限公司 2025-06-12 WO claimed
WO-2025118385-A1 NICOTINE LIQUID PREPARATION, AND PREPARATION METHOD THEREFOR AND USE THEREOF 思摩尔国际控股有限公司 2025-06-12 WO claimed
CN-120113830-A Nicotine-substituted liquid preparation and preparation method and application thereof 思摩尔国际控股有限公司 2025-06-10 CN claimed
CN-120113831-A Nicotine liquid preparation and preparation method and application thereof 思摩尔国际控股有限公司 2025-06-10 CN claimed
CN-117164553-A Synthesis method of 6-methyl nicotine and application of 6-methyl nicotine in tobacco tar 深圳康润生物科技有限公司 2023-12-05 CN claimed
CN-114195759-B Preparation method of 2-methyl-5- (1-methylpyrrolidine-2-yl) pyridine 上海零诺生物科技有限公司 2023-10-20 CN claimed
CN-114437025-B Racemization 6-methyl nicotine and preparation method and application thereof 上海零诺生物科技有限公司 2023-08-25 CN claimed
CN-114437031-B Synthesis method of 6-methyl nicotine 深圳市真味生物科技有限公司 2023-06-27 CN claimed
CN-115611857-A Preparation method of 2-methyl-5- (1-methylpyrrolidine-2-yl) pyridine 上海伍夫科技有限公司 2023-01-17 CN claimed
CN-114989135-A Organic acid salt of 2-methyl-5- (1-methylpyrrolidine-2-yl) pyridine and preparation method thereof 广州天然科技有限公司 2022-09-02 CN claimed
CN-114437031-A Synthetic method of 6-methyl nicotine 深圳市真味生物科技有限公司 2022-05-06 CN claimed
CN-114437025-A Racemic 6-methylnicotine and preparation method and application thereof 上海零诺生物科技有限公司 2022-05-06 CN claimed
CN-114403494-A Electronic cigarette oil without nicotine and preparation method thereof 深圳市德森生物科技有限公司 2022-04-29 CN claimed
CN-114195759-A Preparation method of 2-methyl-5- (1-methylpyrrolidine-2-yl) pyridine 广州天然科技有限公司 2022-03-18 CN 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 (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-20260107969-A1 AEROSOL GENERATING MATERIAL COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE COMPOUND CHRM1, CHRM3, ATRIP CHRNA7 762/4885CHRNB2 800/4885CHRNA4 401/4885
US-20250289796-A1 COMPOSITIONS AND METHODS OF USE THEREOF OR10J3, TRPA1, TAS2R3 CHRNA7 254/4885CHRNB2 389/4885CHRNA4 315/4885
US-12358888-B2 Vaporizable alkaloid compositions and methods of use thereof SRM, SCLY, SMOX CHRNA7 81/4885CHRNB2 98/4885CHRNA4 26/4885
US-12358889-B2 Vaporizable alkaloid compositions and methods of use thereof SRM, SCLY, SMOX CHRNA7 81/4885CHRNB2 98/4885CHRNA4 26/4885

“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.