Nicotine

Nicotine

SCHEMBL4729900

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

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 SCHEMBL308101 1.00 ALDH1A1 (1.00) ALDH1A1CHRNA7CHRNB2CHRNA4CHRNB4
(+/-)Nicotine SCHEMBL11976729 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106349665-A Degradable biomedical materials added with poly-3-hydroxybutyrate and preparing method thereof 胡何辉 2017-01-25 CN disclosed
US-20140155429-A1 Treatment of Cognitive Disorders with Certain Alpha-7 Nicotinic Acid Receptor Agonists in Combination with Nicotine ENVIVO PHARMACEUTICALS, INC. (US) 2014-06-05 US disclosed
EP-2706854-A1 TREATMENT OF COGNITIVE DISORDERS WITH CERTAIN ALPHA-7 NICOTINIC ACID RECEPTOR AGONISTS IN COMBINATION WITH NICOTINE Envivo Pharmaceuticals, Inc. (US) 2014-03-19 EP disclosed
US-20130324503-A1 Method of identifying and treating a person having a predisposition to or afflicted with Parkinson disease HEALTH RESEARCH INC. (US) 2013-12-05 US disclosed
WO-2012154710-A1 TREATMENT OF COGNITIVE DISORDERS WITH CERTAIN ALPHA-7 NICOTINIC ACID RECEPTOR AGONISTS IN COMBINATION WITH NICOTINE ENVIVO PHARMACEUTICALS, INC. (US) 2012-11-15 WO disclosed
US-7387788-B1 Pharmaceutical compositions of nicotine and methods of use thereof ANTARES PHARMA IPL AG (CH) 2008-06-17 US disclosed
WO-2008012071-A2 PHARMACEUTICAL COMPOSITIONS OF NICOTINE AND METHODS OF USE THEREOF ANTARES PHARMA IPL AG (CH) 2008-01-31 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-20140155429-A1 Treatment of Cognitive Disorders with Certain Alpha-7 Nicotinic Acid Receptor Agonists in Combination with Nicotine CHRNA7, CHRNA10, CHRNA5 CHRNB2 10/4885CHRNA4 5/4885ALDH1A1 2439/4885

“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.