SCHEMBL1977397

SCHEMBL1977397

OC1C2CC(c3ccccc32)C1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
GSR P00390 1/20 0.46
KDM1A O60341 5/20 0.38
KDM1B Q8NB78 1/20 0.38
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
HTR2A P28223 1/20 0.36
CYP2C19 P33261 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2B6 P20813 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL24278585 1.00 CA2 (0.46) CA2GSRKDM1AKDM1BMAOA
SCHEMBL14668118 1.00 CA2 (0.46) CA2GSRKDM1AKDM1BMAOA
SCHEMBL27053504 1.00 CA2 (0.46) CA2GSRKDM1AKDM1BMAOA
SCHEMBL25796805 1.00 CA2 (0.46) CA2GSRKDM1AKDM1BMAOA
SCHEMBL3038872 1.00 CA2 (0.46) CA2GSRKDM1AKDM1BMAOA
SCHEMBL27053505 0.83 CA2 (0.38) CA2GSRKDM1AKDM1BMAOA
SCHEMBL25796871 0.83 CA2 (0.38) CA2GSRKDM1AKDM1BMAOA
SCHEMBL25796248 0.80 KDM1A (0.35) CA2GSRKDM1AHTR2CHTR2B
SCHEMBL24278729 0.80 KDM1A (0.35) CA2GSRKDM1AHTR2CHTR2B
SCHEMBL12405329 0.78 KDM1A (0.41) CA2GSRKDM1AKDM1BMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072682-A1 PROCESS FOR PREPARING VARENICLINE, VARENICLINE INTERMEDIATES, AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF ACTAVIS GROUP PTC EHF (IS) 2013-03-21 US claimed
US-20110224437-A1 PROCESS FOR PREPARING VARENICLINE, VARENICLINE INTERMEDIATES, AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF ACTAVIS GROUP PTC EHF (IS) 2011-09-15 US claimed
EP-2334679-A1 PROCESS FOR PREPARING VARENICLINE, VARENICLINE INTERMEDIATES, AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF Actavis Group PTC EHF (IS) 2011-06-22 EP claimed
WO-2010023561-A1 PROCESS FOR PREPARING VARENICLINE, VARENICLINE INTERMEDIATES, AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF ACTAVIS GROUP PTC EHF (IS) 2010-03-04 WO claimed
US-20090318695-A1 PROCESSES FOR THE PREPARATION OF VARENICLINE AND INTERMEDIATES THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-12-24 US claimed
WO-2009155403-A2 PROCESSES FOR THE PREPARATION OF VARENICLINE AND INTERMEDIATES THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-12-23 WO claimed
EP-4206182-A1 ESTER COMPOUND Mitsui Chemicals, Inc. (JP) 2023-07-05 EP disclosed
WO-2022045231-A1 ESTER COMPOUND 三井化学株式会社 2022-03-03 WO disclosed
WO-2018163190-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF VARENICLINE AND SALT THEREOF JUBILANT GENERICS LIMITED (FORMERLY A DIVISION OF JUBILANT LIFESCIENCES LIMITED) (IN) 2018-09-13 WO disclosed
EP-1044189-B2 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2015-02-25 EP 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-20130072682-A1 PROCESS FOR PREPARING VARENICLINE, VARENICLINE INTERMEDIATES, AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF ACTAVIS GROUP PTC EHF (IS) 2013-03-21 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
EP-1259489-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2002-11-27 EP disclosed
US-20020132824-A1 Aryl fused azapolycyclic compounds COE JOTHAM WADSWORTH (US) 2002-09-19 US disclosed
US-20020111350-A1 Aryl fused azapolycyclic compounds COE JOTHAM WADSWORTH (US) 2002-08-15 US disclosed
US-6410550-B1 Aryl fused azapolycyclic compounds PFIZER INC 2002-06-25 US disclosed
US-20020072525-A1 Aryl fused azapolycyclic compounds PFIZER INC 2002-06-13 US disclosed
US-20020072524-A1 Aryl fused azapolycyclic compounds WADSWORTH JOTHAM (US) 2002-06-13 US disclosed
WO-2001062736-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2001-08-30 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 (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 CA2 667/4885GSR 1512/4885KDM1A 208/4885
US-20130072682-A1 PROCESS FOR PREPARING VARENICLINE, VARENICLINE INTERMEDIATES, AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TET2, NOX4, CYP3A7 CA2 667/4885GSR 1512/4885KDM1A 208/4885
US-20020132824-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B CA2 4141/4885GSR 1617/4885KDM1A 660/4885
US-20020072524-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B CA2 4141/4885GSR 1617/4885KDM1A 660/4885
US-20090318695-A1 PROCESSES FOR THE PREPARATION OF VARENICLINE AND INTERMEDIATES THEREOF COMT, CYP3A7, CHRNA7 CA2 3044/4885GSR 473/4885KDM1A 708/4885
US-20020111350-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B CA2 4141/4885GSR 1617/4885KDM1A 660/4885
US-20020072525-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B CA2 4141/4885GSR 1617/4885KDM1A 660/4885

“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.