SCHEMBL1721244

SCHEMBL1721244

CN1CCCCC1c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 1.00
CHRNA7 P36544 4/20 1.00
CHRNA4 P43681 4/20 1.00
ALDH1A1 P00352 5/20 0.91
CHRNB4 P30926 3/20 0.91
CHRNA3 P32297 3/20 0.91
CHRNA2 Q15822 2/20 0.91
LMNA P02545 1/20 0.91
TDP1 Q9NUW8 1/20 0.91
HTR3E A5X5Y0 1/20 0.91
PSIP1 O75475 1/20 0.91
TRPA1 O75762 1/20 0.91
HTR3B O95264 1/20 0.91
CHRNA1 P02708 1/20 0.91
CHRNG P07510 1/20 0.91
MAPT P10636 1/20 0.91
CHRNB1 P11230 1/20 0.91
CYP2A6 P11509 1/20 0.91
PTGS1 P23219 1/20 0.91
CHRNA5 P30532 1/20 0.91

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
SCHEMBL29613093 1.00 CHRNB2 (1.00) CHRNB2CHRNA7CHRNA4ALDH1A1CHRNB4
SCHEMBL3612339 1.00 CHRNB2 (1.00) CHRNB2CHRNA7CHRNA4ALDH1A1CHRNB4
SCHEMBL5293891 1.00 CHRNB2 (1.00) CHRNB2CHRNA7CHRNA4ALDH1A1CHRNB4
SCHEMBL6802478 0.98 CHRNB2 (0.97) CHRNB2CHRNA7CHRNA4ALDH1A1CHRNB4
SCHEMBL6802481 0.98 CHRNB2 (0.97) CHRNB2CHRNA7CHRNA4ALDH1A1CHRNB4
SCHEMBL6802707 0.98 CHRNB2 (0.97) CHRNB2CHRNA7CHRNA4ALDH1A1CHRNB4
Bromide SCHEMBL7331542 0.98 CHRNB2 (0.97) CHRNB2CHRNA7CHRNA4ALDH1A1CHRNB4
SCHEMBL6802708 0.98 CHRNB2 (0.97) CHRNB2CHRNA7CHRNA4ALDH1A1CHRNB4
SCHEMBL6802483 0.98 CHRNB2 (0.97) CHRNB2CHRNA7CHRNA4ALDH1A1CHRNB4
(+/-)Nicotine SCHEMBL797620 0.95 ALDH1A1 (1.00) CHRNB2CHRNA7CHRNA4ALDH1A1CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113009046-A GC-MS-MS detection and analysis method for synthesizing nicotine 山东金城医药化工有限公司 2021-06-22 CN claimed
CN-107525865-B Detection method for simulating generation of secondary alkaloid by nicotine degradation in actual environment 国家烟草质量监督检验中心 2020-03-31 CN claimed
CN-107515263-A Method that is a kind of while determining 11 kinds of secondary alkaloids in tobacco juice for electronic smoke 国家烟草质量监督检验中心 2017-12-26 CN claimed
CN-107462649-A Method that is a kind of while determining 12 kinds of alkaloids in electronics smoke sol 国家烟草质量监督检验中心 2017-12-12 CN claimed
CN-107255687-A It is a kind of at the same determine nicotine in 11 kinds of secondary alkaloid impurity contents method 国家烟草质量监督检验中心 2017-10-17 CN claimed
US-20150203859-A1 NUCLEIC ACID SEQUENCES ENCODING TRANSCRIPTION FACTORS REGULATING ALKALOID BIOSYNTHESIS AND THEIR USE IN MODIFYING PLANT METABOLISM 22ND CENTURY LIMITED, LLC (US) 2015-07-23 US claimed
EP-2549995-A2 USE OF ANATABINE TO TREAT INFLAMMATION AND METHODS OF SYNTHESIZING ANATABINE Rock Creek Pharmaceuticals, Inc. (US) 2013-01-30 EP claimed
US-20110237627-A1 METHODS OF SYNTHESIZING ANATABINE Rock Creek Pharmaceuticals, Inc. (US) 2011-09-29 US claimed
WO-2011119722-A2 USE OF ANATABINE TO TREAT INFLAMMATION AND METHODS OF SYNTHESIZING ANATABINE Rock Creek Pharmaceuticals, Inc. (US) 2011-09-29 WO claimed
CN-100364990-C Substituted 4-amino-1- (pyridylmethyl) piperidines and related compounds THERAVANCE INC (US) 2008-01-30 CN claimed
EP-1458252-B1 TOBACCO AND/OR TOBACCO IN COMBINATION WITH TOBACCO SUBSTITUTE COMPOSITION FOR USE AS A SNUFF IN THE ORAL CAVITY GALENICA AB (SE) 2008-01-23 EP claimed
CN-1708494-A Substituted 4-amino-1- (pyridylmethyl) piperidines and related compounds THERAVANCE INC (US) 2005-12-14 CN claimed
US-20050061339-A1 Tobacco and/or tobacco substitute composition for use as a snuff in the oral cavity GALENICA AB (SE) 2005-03-24 US claimed
EP-1458252-A2 TOBACCO AND/OR TOBACCO SUBSTITUTE COMPOSITION FOR USE AS A SNUFF IN THE ORAL CAVITY Galenica AB (SE) 2004-09-22 EP claimed
WO-2003053175-A2 TOBACCO AND/OR TOBACCO SUBSTITUTE COMPOSITION FOR USE AS A SNUFF IN THE ORAL CAVITY GALENICA AB (SE) 2003-07-03 WO claimed
US-20250163443-A1 METHODS FOR PRODUCING LOW-NICOTINE TOBACCO UNIV NORTH CAROLINA STATE (US) 2025-05-22 US disclosed
EP-3871674-B1 USE OF ANATABINE FOR REDUCING BLOOD SERUM LEVELS OF C-REACTIVE PROTEIN IN AN INDIVIDUAL PHILIP MORRIS PRODUCTS SA (CH) 2024-12-25 EP disclosed
EP-0567251-A1 Treatment of neurodegenerative diseases R.J. REYNOLDS TOBACCO COMPANY (US) 1993-10-27 EP disclosed
EP-0500658-A1 A NICOTINE CONTAINING STIMULANT UNIT. DAM ANDERS (DK) 1992-09-02 EP disclosed
WO-1991006288-A1 A NICOTINE CONTAINING STIMULANT UNIT DAM ANDERS (DK) 1991-05-16 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 (1 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-20110237627-A1 METHODS OF SYNTHESIZING ANATABINE ALKBH1, ALKBH2, NME2 CHRNB2 1366/4885CHRNA7 2481/4885CHRNA4 1686/4885

“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.