SCHEMBL4417154

SCHEMBL4417154

CC(C)(C)OC(=O)N1CC2CC(C1)c1cc(N)c(N)cc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
NR1H2 P55055 2/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
PDE4B Q07343 3/20 0.40
JAK1 P23458 1/20 0.39
DPP4 P27487 1/20 0.39
NAMPT P43490 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
MAP3K14 Q99558 1/20 0.39
HPGD P15428 1/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL29051731 0.86 KDM4E (0.53) KDM4ENR1H2HDAC1HDAC2MAPT
SCHEMBL4407824 0.83 HDAC1 (0.41) KDM4ENR1H2HDAC1HDAC2PDE4B
SCHEMBL4415952 0.82 TLR8 (0.41) KDM4ENR1H2HDAC1HDAC2DPP4
SCHEMBL4404247 0.81 KDM4E (0.56) KDM4ENR1H2MAPTTHRBPDE4B
SCHEMBL4408500 0.81 KDM4E (0.47) KDM4ENR1H2MAPTTHRBPDE4B
SCHEMBL4414698 0.80 CHRNA1 (0.53) KDM4ENR1H2MAPTTHRBPDE4B
SCHEMBL1770494 0.79 KDM4E (0.43) KDM4ENR1H2HDAC1HDAC2MAPT
SCHEMBL20137519 0.78 NR1H2 (0.53) KDM4ENR1H2MAPTTHRBNAMPT
SCHEMBL4409738 0.78 KDM4E (0.50) KDM4E
SCHEMBL29051883 0.77 MAPT (0.52) KDM4ENR1H2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1044189-B2 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2015-02-25 EP disclosed
EP-1619192-B1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2009-12-30 EP disclosed
EP-1383733-B1 PROCESS FOR THE PREPARATION OF 1,3-SUBSTITUTED INDENES AND ARYL-FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2008-03-05 EP disclosed
EP-1044189-B1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2008-02-13 EP disclosed
US-20070275973-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER INC 2007-11-29 US disclosed
US-7205300-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2007-04-17 US disclosed
US-7186870-B2 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic compounds PFIZER INC (US) 2007-03-06 US disclosed
US-7144882-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2006-12-05 US disclosed
US-7091372-B2 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic compounds PFIZER INC (US) 2006-08-15 US disclosed
EP-1259489-B1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2006-06-07 EP disclosed
US-6887884-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2005-05-03 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-6410550-B1 Aryl fused azapolycyclic compounds PFIZER INC 2002-06-25 US disclosed
US-20020072524-A1 Aryl fused azapolycyclic compounds WADSWORTH JOTHAM (US) 2002-06-13 US disclosed
US-20020072525-A1 Aryl fused azapolycyclic compounds PFIZER INC 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 (6 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-20020132824-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B KDM4E 1202/4885NR1H2 1034/4885HDAC1 25/4885
US-20030130260-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN3A KDM4E 1075/4885NR1H2 1023/4885HDAC1 20/4885
US-20020072524-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B KDM4E 1202/4885NR1H2 1034/4885HDAC1 25/4885
US-20070275973-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS GRIN2C, GRIN2A, GRIN2B KDM4E 1143/4885NR1H2 1067/4885HDAC1 54/4885
US-20030060624-A1 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic componunds INTS6, CYP1B1, CYP1A2 KDM4E 258/4885NR1H2 1043/4885HDAC1 237/4885
US-20020072525-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B KDM4E 1202/4885NR1H2 1034/4885HDAC1 25/4885

“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.