SCHEMBL2616761

SCHEMBL2616761

c1cnc2cc3c(cc2n1)C1CCCC3C1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 7/20 0.62
▸ CHRNA4 P43681 7/20 0.62
▸ CHRNB4 P30926 2/20 0.62
▸ CHRNA3 P32297 2/20 0.62
▸ CHRNA1 P02708 1/20 0.62
▸ ESR1 P03372 1/20 0.62
▸ CHRNG P07510 1/20 0.62
▸ CHRNB1 P11230 1/20 0.62
▸ CHRNA5 P30532 1/20 0.62
▸ CHRNA7 P36544 1/20 0.62
▸ HTR3A P46098 1/20 0.62
▸ CHRND Q07001 1/20 0.62
▸ CHRNA2 Q15822 1/20 0.62
▸ POLB P06746 1/20 0.34
▸ KDM5A P29375 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31

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
SCHEMBL13561408 1.00 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL10025840 0.80 CHRNB4 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Varenicline SCHEMBL14003841 0.77 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Varenicline SCHEMBL29363551 0.77 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Varenicline SCHEMBL5959022 0.77 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Varenicline SCHEMBL29710884 0.77 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Varenicline SCHEMBL225687 0.77 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Varenicline SCHEMBL137144 0.77 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL2615185 0.76 CHRNB4 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Varenicline SCHEMBL31413921 0.75 CHRNB4 (1.00) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285407-A1 VARENICILINE COMPOUND AND PROCESS OF MANUFACTURE THEREOF WILMINGTON SAVINGS FUND SOCIETY, FSB, AS COLLATERAL AGENT 2023-09-14 — — US disclosed
US-20130101630-A1 HIGHLY PURE VARENICLINE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF SUBSTANTIALLY FREE OF METHYLVARENICLINE IMPURITY ACTAVIS GROUP PTC EHF (IS) 2013-04-25 — — US disclosed
US-20130072682-A1 PROCESS FOR PREPARING VARENICLINE, VARENICLINE INTERMEDIATES, AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF ACTAVIS GROUP PTC EHF (IS) 2013-03-21 — — US disclosed
US-8314235-B2 Process for preparing varenicline, varenicline intermediates, pharmaceutically acceptable salts thereof ACTAVIS GROUP PTC EHF (IS) 2012-11-20 — — US disclosed
US-8178537-B2 Solid state forms of varenicline salts and processes for preparation thereof TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2012-05-15 — — US disclosed
US-20120093887-A1 AMORPHOUS VARENICLINE TARTRATE CO-PRECIPITATES ACTAVIS GROUP PTC EHF (IS) 2012-04-19 — — US disclosed
US-20110224437-A1 PROCESS FOR PREPARING VARENICLINE, VARENICLINE INTERMEDIATES, AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF ACTAVIS GROUP PTC EHF (IS) 2011-09-15 — — US disclosed
US-20110086086-A1 TRANSDERMAL SYSTEM FOR VARENICLINE PFIZER INC 2011-04-14 — — US disclosed
US-20100324055-A1 SOLID STATES FORMS OF VARENICLINE SALTS AND PROCESSES FOR PREPARATION THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. 2010-12-23 — — US disclosed
US-7771748-B2 Pharmaceutical compositions of 5,7,14-triazatetracyclo[10.3.1.02,11.04,9]-hexadeca-2(11),3,5,7,9-pentaene PFIZER INC (US) 2010-08-10 — — 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 (7 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-20110224437-A1 PROCESS FOR PREPARING VARENICLINE, VARENICLINE INTERMEDIATES, AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TET2, NOX4, CYP3A7 CHRNB2 114/4885CHRNA4 167/4885CHRNB4 296/4885
US-20230285407-A1 VARENICILINE COMPOUND AND PROCESS OF MANUFACTURE THEREOF COMT, CYP2C9, CYP3A7 CHRNB2 88/4885CHRNA4 82/4885CHRNB4 101/4885
US-20130072682-A1 PROCESS FOR PREPARING VARENICLINE, VARENICLINE INTERMEDIATES, AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TET2, NOX4, CYP3A7 CHRNB2 114/4885CHRNA4 167/4885CHRNB4 296/4885
US-20100324055-A1 SOLID STATES FORMS OF VARENICLINE SALTS AND PROCESSES FOR PREPARATION THEREOF SPIN2B, CACNA1S, VARS1 CHRNB2 142/4885CHRNA4 72/4885CHRNB4 155/4885
US-20130101630-A1 HIGHLY PURE VARENICLINE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF SUBSTANTIALLY FREE OF METHYLVARENICLINE IMPURITY PDE7A, CHRNA7, HTR7 CHRNB2 52/4885CHRNA4 48/4885CHRNB4 102/4885
US-20110086086-A1 TRANSDERMAL SYSTEM FOR VARENICLINE CHRNA7, CACNA1G, CACNA1S CHRNB2 35/4885CHRNA4 31/4885CHRNB4 42/4885
US-20120093887-A1 AMORPHOUS VARENICLINE TARTRATE CO-PRECIPITATES VCL, SI, PPP2CA CHRNB2 376/4885CHRNA4 323/4885CHRNB4 608/4885

“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.

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