Varenicline

Varenicline

SCHEMBL20553574

CS(=O)(=O)O.c1cnc2cc3c(cc2n1)[C@@H]1CNC[C@H]3C1

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRNA4CHRNB2

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

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 known ✓ P17787 12/20 0.75
CHRNA4 known ✓ P43681 12/20 0.75
CHRNB4 P30926 3/20 0.75
CHRNA3 P32297 3/20 0.75
CHRNA1 P02708 2/20 0.75
CHRNG P07510 2/20 0.75
CHRNB1 P11230 2/20 0.75
CHRND Q07001 2/20 0.75
CHRNA7 P36544 2/20 0.75
ESR1 P03372 1/20 0.75
CHRNA5 P30532 1/20 0.75
HTR3A P46098 1/20 0.75
CHRNA2 Q15822 1/20 0.75

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
Varenicline SCHEMBL225687 0.87 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Varenicline SCHEMBL14003841 0.87 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Varenicline SCHEMBL5959022 0.87 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Varenicline SCHEMBL137144 0.87 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Varenicline SCHEMBL29363551 0.87 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Varenicline SCHEMBL29710884 0.87 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Varenicline SCHEMBL20553851 0.85 CHRNB2 (0.96) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Varenicline SCHEMBL31413921 0.85 CHRNB4 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Varenicline SCHEMBL23510345 0.84 CHRNB2 (0.80) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Varenicline SCHEMBL20553911 0.84 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1

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
US-20200276113-A1 TASTE-MASKED AND ORALLY ADMINISTERED PHARMACEUTICAL PREPARATION CONTAINING VARENICLINE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CTC BIO, INC. (KR) 2020-09-03 US claimed
EP-3400964-A1 TASTE-MASKED AND ORALLY ADMINISTERED PHARMACEUTICAL PREPARATION CONTAINING VARENICLINE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CTC Bio, Inc. (KR) 2018-11-14 EP claimed
WO-2024069649-A1 COMPOSITIONS WITH REDUCED NITROSAMINE IMPURITIES INVENTIA HEALTHCARE LIMITED (IN) 2024-04-04 WO disclosed
US-11266658-B2 Preparation, comprising inclusion complex of varenicline or pharmaceutically acceptable salt thereof, for oral administration CTC BIO, INC. (KR) 2022-03-08 US disclosed
US-20200276113-A1 TASTE-MASKED AND ORALLY ADMINISTERED PHARMACEUTICAL PREPARATION CONTAINING VARENICLINE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CTC BIO, INC. (KR) 2020-09-03 US disclosed
US-20200061078-A1 PREPARATION, COMPRISING INCLUSION COMPLEX OF VARENICLINE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, FOR ORAL ADMINISTRATION CTC BIO, INC. (KR) 2020-02-27 US disclosed
EP-3400964-A1 TASTE-MASKED AND ORALLY ADMINISTERED PHARMACEUTICAL PREPARATION CONTAINING VARENICLINE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CTC Bio, Inc. (KR) 2018-11-14 EP 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 (3 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-11266658-B2 Preparation, comprising inclusion complex of varenicline or pharmaceutically acceptable salt thereof, for oral administration TAS2R7, CACNG7, CYP3A7 CHRNB2 292/4885CHRNA4 283/4885CHRNB4 351/4885
US-20200276113-A1 TASTE-MASKED AND ORALLY ADMINISTERED PHARMACEUTICAL PREPARATION CONTAINING VARENICLINE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TAS2R7, TAS2R5, TAS2R10 CHRNB2 156/4885CHRNA4 138/4885CHRNB4 220/4885
US-20200061078-A1 PREPARATION, COMPRISING INCLUSION COMPLEX OF VARENICLINE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, FOR ORAL ADMINISTRATION TAS2R7, CACNG7, CYP3A7 CHRNB2 292/4885CHRNA4 283/4885CHRNB4 351/4885

“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.