Nicotine

Nicotine

SCHEMBL308101

CN1CCC[C@H]1c1cccnc1.CN1CCC[C@H]1c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRNA4CHRNB2

The experimentally established mechanism targets of Nicotine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

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

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
(+/-)Nicotine SCHEMBL20193 1.00 ALDH1A1 (1.00) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
R-Nicotine SCHEMBL20518 1.00 ALDH1A1 (1.00) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
Nicotine SCHEMBL10909351 1.00 ALDH1A1 (1.00) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
(+/-)Nicotine SCHEMBL11976729 1.00 ALDH1A1 (1.00) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
Nicotine SCHEMBL4729900 1.00 ALDH1A1 (1.00) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
(+/-)Nicotine SCHEMBL10909353 1.00 ALDH1A1 (1.00) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
(+/-)Nicotine SCHEMBL1724652 1.00 ALDH1A1 (1.00) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
Nicotine SCHEMBL2599622 1.00 ALDH1A1 (1.00) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
(+/-)Nicotine SCHEMBL797620 1.00 ALDH1A1 (1.00) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
Nicotine SCHEMBL407606 1.00 ALDH1A1 (1.00) 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 124 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104271137-B Nicotine oral delivery product comprising the powder being encapsulated in water-insoluble bag, wherein the powder bag includes nicotine and chewing gum compositions 福恩伊兹有限公司 2019-05-10 CN claimed
US-20110305715-A1 ANTIBODIES TO 3-HYDROXYCOTININE AND METHODS OF USE THEREOF QUIDEL CORPORATION 2011-12-15 US claimed
US-10998091-B2 Systems for monitoring compliance with a patch dosage regimen and methods of using the same PATIL SANDEEP (US) 2021-05-04 US disclosed
US-20200258610-A1 Systems for Monitoring Compliance with a Patch Dosage Regimen and Methods of Using the Same PATIL SANDEEP (US) 2020-08-13 US disclosed
EP-3615659-A1 COMPOSITIONS AND METHODS FOR THE ENCAPSULATION AND SCALABLE DELIVERY OF AGROCHEMICALS Agrospheres, Inc. (US) 2020-03-04 EP disclosed
CN-209544825-U Anionic generating circuit and display device 合肥惠科金扬科技有限公司 2019-10-25 CN disclosed
CN-110300588-A Inhalable nicotine composite and production and preparation method thereof 菲利普莫里斯生产公司 2019-10-01 CN disclosed
CN-110283158-A A method of recycling vegetable soda from tobacco leaching liquor 广东省金叶科技开发有限公司 2019-09-27 CN disclosed
WO-2019172727-A1 COMPOSITION FOR SMOKELESS TOBACCO AND ORALLY DISSOLVABLE FILM-TYPE SMOKELESS TOBACCO COMPRISING SAME (주)씨엘팜 2019-09-12 WO disclosed
CN-209090045-U Aerosol generates system 深圳御烟实业有限公司 2019-07-12 CN disclosed
CN-109950794-A Anionic generating circuit and display device 合肥惠科金扬科技有限公司 2019-06-28 CN disclosed
US-5135753-A Transdermal nicotine delivery PHARMETRIX CORPORATION (US) 1992-08-04 US disclosed
CN-1016843-B NICOTINE DISPENSER WITH POLYMERIC RESERVOIR OF NICOTINE ADVANCED TOBACCO PROD (US) 1992-06-03 CN disclosed
EP-0436599-A1 TOBACCO SMOKE FILTERS AND PROCESS FOR PRODUCTION THEREOF EASTMAN KODAK COMPANY (US) 1991-07-17 EP disclosed
WO-1990003125-A1 TOBACCO SMOKE FILTERS AND PROCESS FOR PRODUCTION THEREOF EASTMAN KODAK COMPANY (US) 1990-04-05 WO disclosed
US-4836224-A CONTAINING LEVULINIC ACID R. J. REYNOLDS TOBACCO COMPANY (US) 1989-06-06 US disclosed
CN-86103434-A The nicotine dispenser of band polymeric reservoir of nicotine 1986-11-26 CN disclosed
US-4595024-A Segmented cigarette R. J. REYNOLDS TOBACCO COMPANY (US) 1986-06-17 US disclosed
US-4469112-A Compound filter CELANESE CORPORATION (US) 1984-09-04 US disclosed
US-4020850-A Thermoplastic cigarette wrapper BROWN & WILLIAMSON TOBACCO CORPORATION (US) 1977-05-03 US 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 (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-10998091-B2 Systems for monitoring compliance with a patch dosage regimen and methods of using the same CUTA, ACHE, PTPN21 CHRNB2 2719/4885CHRNA4 1614/4885ALDH1A1 3669/4885
US-20200258610-A1 Systems for Monitoring Compliance with a Patch Dosage Regimen and Methods of Using the Same CUTA, ACHE, PTPN21 CHRNB2 2719/4885CHRNA4 1614/4885ALDH1A1 3669/4885

“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.