SCHEMBL159158

SCHEMBL159158

Cc1cncc([C@@H]2CCCN2C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 6/20 0.64
CHRNA3 P32297 6/20 0.64
CHRNB2 P17787 5/20 0.64
CHRNA4 P43681 5/20 0.64
CHRNA1 P02708 4/20 0.64
CHRNA2 Q15822 3/20 0.64
CHRNB1 P11230 3/20 0.64
CHRNG P07510 2/20 0.64
CHRND Q07001 2/20 0.64
ALDH1A1 P00352 2/20 0.58
CHRNA7 P36544 2/20 0.58
CHRNB3 Q05901 2/20 0.58
LMNA P02545 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HTR3E A5X5Y0 1/20 0.58
PSIP1 O75475 1/20 0.58
TRPA1 O75762 1/20 0.58
HTR3B O95264 1/20 0.58
MAPT P10636 1/20 0.58
CYP2A6 P11509 1/20 0.58

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
SCHEMBL31019621 1.00 CHRNB4 (0.64) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL159159 1.00 CHRNB4 (0.64) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL30866535 1.00 CHRNB4 (0.64) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
Acetic Acid SCHEMBL27199916 0.91 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL20164036 0.91 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
Acetic Acid SCHEMBL31344159 0.91 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
Cadaverine Tartrate SCHEMBL30866584 0.87 BLM (0.67) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
Lactic Acid SCHEMBL31344162 0.87 BLM (0.57) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
L-Lactic Acid SCHEMBL27199878 0.87 BLM (0.57) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
Lactic Acid SCHEMBL27199874 0.87 BLM (0.57) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11964958-B1 Vaporizable alkaloid compositions and methods of use thereof Ready Mix Naturals, LLC (US) 2024-04-23 US claimed
JP-62081381-A None JP disclosed
US-11964958-B1 Vaporizable alkaloid compositions and methods of use thereof Ready Mix Naturals, LLC (US) 2024-04-23 US disclosed
US-20200236936-A1 (S)-5-ETHYNYL-ANABASINE, DERIVATIVES THEREOF, AND RELATED COMPOSITIONS AND METHODS OF MAKING AND USING IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2020-07-30 US disclosed
US-10667515-B2 (S)-5-ethynyl-anabasine, derivatives thereof, and related compositions and methods of making and using IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2020-06-02 US disclosed
US-20190200611-A1 (S)-5-ETHYNYL-ANABASINE, DERIVATIVES THEREOF, AND RELATED COMPOSITIONS AND METHODS OF MAKING AND USING IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2019-07-04 US disclosed
US-20180139961-A1 (S)-5-ETHYNYL-ANABASINE, DERIVATIVES THEREOF, AND RELATED COMPOSITIONS AND METHODS OF MAKING AND USING IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2018-05-24 US disclosed
EP-2611788-A2 NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE University of Florida Research Foundation, Incorporated (US) 2013-07-10 EP disclosed
WO-2012031220-A2 NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-03-08 WO disclosed
EP-1857121-A2 Hapten-carrier conjugates for use in drug-abuse therapy and methods for preparation of same Xenova Research Limited (GB) 2007-11-21 EP disclosed
CN-101014587-A Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORP (US) 2007-08-08 CN disclosed
EP-1024834-A2 HAPTEN-CARRIER CONJUGATES FOR USE IN DRUG-ABUSE THERAPY AND METHODS FOR PREPARATION OF SAME IMMULOGIC PHARMACEUTICAL CORPORATION (US) 2000-08-09 EP disclosed
WO-1998014216-A9 HAPTEN-CARRIER CONJUGATES FOR USE IN DRUG-ABUSE THERAPY AND METHODS FOR PREPARATION OF SAME 1998-08-13 WO disclosed
WO-1998014216-A2 HAPTEN-CARRIER CONJUGATES FOR USE IN DRUG-ABUSE THERAPY AND METHODS FOR PREPARATION OF SAME IMMULOGIC PHARMACEUTICAL CORPORATION (US) 1998-04-09 WO disclosed
EP-0559495-A1 Treatment of neurodegenerative diseases R.J. REYNOLDS TOBACCO COMPANY (US) 1993-09-08 EP disclosed
EP-0559495-A1 Treatment of neurodegenerative diseases R.J. REYNOLDS TOBACCO COMPANY (US) 1993-09-08 EP disclosed
US-5242935-A Alzheimer*s disease, compounds with a pyridine and a pyrrole ring R. J. REYNOLDS TOBACCO COMPANY (US) 1993-09-07 US disclosed
US-5242935-A Alzheimer*s disease, compounds with a pyridine and a pyrrole ring R. J. REYNOLDS TOBACCO COMPANY (US) 1993-09-07 US disclosed
JP-S6281381-A NICOTINE DERIVATIVE AND PRODUCTION THEREOF JAPAN TOBACCO INC 1987-04-14 JP disclosed
US-4321387-A Process for the preparation of optically active nicotine analogs PHILIP MORRIS, INCORPORATED (US) 1982-03-23 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 (5 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-11964958-B1 Vaporizable alkaloid compositions and methods of use thereof SRM, SCLY, SMOX CHRNB4 55/4885CHRNA3 116/4885CHRNB2 98/4885
US-10667515-B2 (S)-5-ethynyl-anabasine, derivatives thereof, and related compositions and methods of making and using AAAS, NANS, CIAPIN1 CHRNB4 2085/4885CHRNA3 2431/4885CHRNB2 2259/4885
US-20190200611-A1 (S)-5-ETHYNYL-ANABASINE, DERIVATIVES THEREOF, AND RELATED COMPOSITIONS AND METHODS OF MAKING AND USING AAAS, NANS, CIAPIN1 CHRNB4 2085/4885CHRNA3 2431/4885CHRNB2 2259/4885
US-20200236936-A1 (S)-5-ETHYNYL-ANABASINE, DERIVATIVES THEREOF, AND RELATED COMPOSITIONS AND METHODS OF MAKING AND USING AAAS, NANS, CIAPIN1 CHRNB4 2085/4885CHRNA3 2431/4885CHRNB2 2259/4885
US-20180139961-A1 (S)-5-ETHYNYL-ANABASINE, DERIVATIVES THEREOF, AND RELATED COMPOSITIONS AND METHODS OF MAKING AND USING AAAS, NANS, CIAPIN1 CHRNB4 2085/4885CHRNA3 2431/4885CHRNB2 2259/4885

“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.