SCHEMBL12891024

SCHEMBL12891024

CC(C)(C)CN1CCC[C@@H]1CO

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SPHK2 Q9NRA0 9/20 0.41
SPHK1 Q9NYA1 9/20 0.41
HRH3 Q9Y5N1 2/20 0.34
PARP1 P09874 1/20 0.33
LMNA P02545 1/20 0.33
CFB P00751 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 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
SCHEMBL12156688 1.00 POLB (0.42) POLBL3MBTL1SPHK2SPHK1HRH3
SCHEMBL12891026 1.00 POLB (0.42) POLBL3MBTL1SPHK2SPHK1HRH3
SCHEMBL13500529 0.94 CFB (0.38) POLBL3MBTL1SPHK2SPHK1CFB
SCHEMBL13212589 0.94 CFB (0.38) POLBL3MBTL1SPHK2SPHK1CFB
SCHEMBL13212595 0.94 CFB (0.38) POLBL3MBTL1SPHK2SPHK1CFB
SCHEMBL16939340 0.88 L3MBTL1 (0.34) POLBL3MBTL1SPHK2SPHK1
SCHEMBL16939209 0.88 L3MBTL1 (0.34) POLBL3MBTL1SPHK2SPHK1
SCHEMBL21451253 0.85 L3MBTL1 (0.42) POLBL3MBTL1ALDH1A1
SCHEMBL6428879 0.85 POLB (0.40) POLBL3MBTL1SPHK2SPHK1PARP1
SCHEMBL6948011 0.85 POLB (0.40) POLBL3MBTL1SPHK2SPHK1PARP1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11571426-B2 Compositions for preventing or treating lupus CHONG KUN DANG PHARMACEUTICAL CORP. 2023-02-07 US disclosed
US-20210161905-A1 Compositions for Preventing or Treating Dry Eye CHONG KUN DANG PHARMACEUTICAL CORPORATION (KR) 2021-06-03 US disclosed
US-20210077501-A1 COMPOSITIONS FOR PREVENTING OR TREATING UVEITIS CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2021-03-18 US disclosed
US-20200368245-A1 COMPOSITIONS FOR PREVENTING OR TREATING LUPUS CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-11-26 US disclosed
US-9878986-B2 Compounds for selective histone deacetylase inhibitors, and pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-01-30 US disclosed
US-9878986-B2 Compounds for selective histone deacetylase inhibitors, and pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-01-30 US disclosed
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-06-01 US disclosed
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-06-01 US disclosed
US-9359358-B2 Cyclohexyl azetidine derivatives as JAK inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-06-07 US disclosed
US-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2016-03-24 US disclosed
US-20130045963-A1 Cyclohexyl Azetidine Derivatives as JAK Inhibitors INCYTE CORPORATION (US) 2013-02-21 US disclosed
US-7879808-B2 potent activity against resistant pneumococci; for treating domestic fowl MEIJI SEIKA KAISHA, LTD. (JP) 2011-02-01 US disclosed
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2010-08-19 US disclosed
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 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 (10 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 POLB 3623/4885L3MBTL1 1242/4885SPHK2 3427/4885
US-20210077501-A1 COMPOSITIONS FOR PREVENTING OR TREATING UVEITIS UACA, PDE6C, PDE6H POLB 4676/4885L3MBTL1 4884/4885SPHK2 237/4885
US-11571426-B2 Compositions for preventing or treating lupus SSB, TLR9, TLR5 POLB 3661/4885L3MBTL1 4115/4885SPHK2 128/4885
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds MCHR1, MCHR2, MC5R POLB 3711/4885L3MBTL1 2568/4885SPHK2 1107/4885
US-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 POLB 829/4885L3MBTL1 4390/4885SPHK2 2684/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 POLB 829/4885L3MBTL1 4390/4885SPHK2 2684/4885
US-20200368245-A1 COMPOSITIONS FOR PREVENTING OR TREATING LUPUS SSB, TLR9, TLR5 POLB 3661/4885L3MBTL1 4115/4885SPHK2 128/4885
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT LAS1L, LCLAT1, LYPLA1 POLB 3310/4885L3MBTL1 24/4885SPHK2 3516/4885
US-20130045963-A1 Cyclohexyl Azetidine Derivatives as JAK Inhibitors JAK1, JAK2, JAK3 POLB 3512/4885L3MBTL1 4496/4885SPHK2 748/4885
US-20210161905-A1 Compositions for Preventing or Treating Dry Eye PDE6H, PDE6C, PDE6D POLB 4751/4885L3MBTL1 4876/4885SPHK2 28/4885

“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.