SCHEMBL3564889

SCHEMBL3564889

Nc1ccc2c(c1)C1CC2CN(C(=O)C(F)(F)F)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.46
CHRNA4 P43681 4/20 0.46
ESR1 P03372 5/20 0.40
ESR2 Q92731 5/20 0.40
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
KDM1A O60341 1/20 0.34
CYP2C19 P33261 2/20 0.33
EPHX2 P34913 2/20 0.33
PROKR1 Q8TCW9 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRND Q07001 1/20 0.33
SLC9A1 P19634 3/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
KCNH2 Q12809 1/20 0.32
RBP4 P02753 1/20 0.32
CA12 O43570 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
SCHEMBL29761239 1.00 CHRNB2 (0.46) CHRNB2CHRNA4ESR1ESR2CHRNB4
SCHEMBL2060704 0.91 ESR1 (0.40) CHRNB2CHRNA4ESR1ESR2KDM1A
SCHEMBL225186 0.85 ESR1 (0.37) ESR1ESR2KDM1ACYP2C19PROKR1
SCHEMBL13561414 0.85 ESR1 (0.37) ESR1ESR2KDM1ACYP2C19PROKR1
SCHEMBL29352110 0.85 ESR1 (0.37) ESR1ESR2KDM1ACYP2C19PROKR1
SCHEMBL4406850 0.84 ESR1 (0.52) CHRNB2CHRNA4ESR1ESR2CHRNB4
SCHEMBL4686593 0.83 CHRNB2 (0.46) CHRNB2CHRNA4ESR1ESR2CYP2C19
SCHEMBL31512129 0.83 ESR1 (0.40) CHRNB2CHRNA4ESR1ESR2CHRNB4
SCHEMBL4407833 0.83 ESR1 (0.40) CHRNB2CHRNA4ESR1ESR2CHRNB4
SCHEMBL1971200 0.82 RBP4 (0.43) ESR1ESR2KDM1ACYP2C19EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11872234-B2 Vareniciline compound and process of manufacture thereof PAR PHARMACEUTICAL, INC. (US) 2024-01-16 US disclosed
US-11779587-B2 Vareniciline compound and process of manufacture thereof PAR PHARMACEUTICAL, INC. (US) 2023-10-10 US disclosed
US-20230285406-A1 VARENICILINE COMPOUND AND PROCESS OF MANUFACTURE THEREOF WILMINGTON SAVINGS FUND SOCIETY, FSB, AS COLLATERAL AGENT 2023-09-14 US disclosed
US-20230285407-A1 VARENICILINE COMPOUND AND PROCESS OF MANUFACTURE THEREOF WILMINGTON SAVINGS FUND SOCIETY, FSB, AS COLLATERAL AGENT 2023-09-14 US disclosed
US-20230285404-A1 VARENICLINE COMPOUND AND PROCESS OF MANUFACTURE THEREOF ENDO OPERATIONS LIMITED (IE) 2023-09-14 US disclosed
EP-4241775-A1 TABLET COMPRISING VARENICLINE AND PROCESS OF PREPARATION THEREOF Par Pharmaceutical, Inc. (US) 2023-09-13 EP disclosed
US-11717524-B1 Varenicline compound and process of manufacture thereof PAR PHARMACEUTICAL, INC. (US) 2023-08-08 US disclosed
EP-1044189-B2 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2015-02-25 EP disclosed
EP-1044189-B2 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2015-02-25 EP disclosed
US-7820648-B2 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2010-10-26 US disclosed
EP-1383733-A2 PROCESS FOR THE PREPARATION OF 1,3-SUBSTITUTED INDENES AND ARYL-FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2004-01-28 EP disclosed
US-6605610-B1 Reducing nicotine addiction; treating neurological and psychological disorders PFIZER INC 2003-08-12 US disclosed
US-20030130260-A1 Aryl fused azapolycyclic compounds COE JOTHAM WADSWORTH (US) 2003-07-10 US disclosed
US-20030060624-A1 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic componunds PFIZER INC. 2003-03-27 US disclosed
WO-2002085843-A2 PROCESS FOR THE PREPARATION OF 1,3-SUBSTITUTED INDENES AND ARYL-FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2002-10-31 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 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-20230285407-A1 VARENICILINE COMPOUND AND PROCESS OF MANUFACTURE THEREOF COMT, CYP2C9, CYP3A7 CHRNB2 88/4885CHRNA4 82/4885ESR1 4403/4885
US-20020132824-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B CHRNB2 255/4885CHRNA4 241/4885ESR1 3094/4885
US-11717524-B1 Varenicline compound and process of manufacture thereof COMT, CYP2C9, CYP3A7 CHRNB2 49/4885CHRNA4 41/4885ESR1 4246/4885
US-20030130260-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN3A CHRNB2 297/4885CHRNA4 236/4885ESR1 2825/4885
US-20020072524-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B CHRNB2 255/4885CHRNA4 241/4885ESR1 3094/4885
US-11779587-B2 Vareniciline compound and process of manufacture thereof COMT, CYP2C9, CYP3A7 CHRNB2 88/4885CHRNA4 82/4885ESR1 4403/4885
US-20020111350-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B CHRNB2 255/4885CHRNA4 241/4885ESR1 3094/4885
US-20230285404-A1 VARENICLINE COMPOUND AND PROCESS OF MANUFACTURE THEREOF COMT, CYP2C9, CYP3A7 CHRNB2 49/4885CHRNA4 41/4885ESR1 4246/4885
US-20030060624-A1 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic componunds INTS6, CYP1B1, CYP1A2 CHRNB2 1306/4885CHRNA4 1447/4885ESR1 2089/4885
US-11872234-B2 Vareniciline compound and process of manufacture thereof COMT, CYP2C9, CYP3A7 CHRNB2 88/4885CHRNA4 82/4885ESR1 4403/4885
US-20230285406-A1 VARENICILINE COMPOUND AND PROCESS OF MANUFACTURE THEREOF COMT, CYP2C9, CYP3A7 CHRNB2 88/4885CHRNA4 82/4885ESR1 4403/4885
US-20020072525-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B CHRNB2 255/4885CHRNA4 241/4885ESR1 3094/4885

“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.