SCHEMBL3889015

SCHEMBL3889015

CC(C)(C)OC(=O)NCCc1cn(C(=O)OC(C)(C)C)c2ccncc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
NQO2 P16083 1/20 0.43
LATS1 O95835 4/20 0.42
IDO1 P14902 2/20 0.42
CYP3A4 P08684 1/20 0.40
PDE10A Q9Y233 1/20 0.39
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GFER P55789 1/20 0.38
LATS2 Q9NRM7 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PIM1 P11309 1/20 0.37
MARK3 P27448 1/20 0.37

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
SCHEMBL22131235 0.84 L3MBTL1 (0.60) HTR6L3MBTL1NQO2IDO1PDE10A
SCHEMBL30721515 0.84 L3MBTL1 (0.60) HTR6L3MBTL1NQO2IDO1PDE10A
SCHEMBL19260899 0.79 L3MBTL1 (0.45) HTR6L3MBTL1PDE10APIM1MARK3
SCHEMBL29169605 0.79 L3MBTL1 (0.58) HTR6L3MBTL1NQO2PDE10AMEN1
SCHEMBL25437333 0.77 DRD2 (0.38) HTR6NQO2IDO1HTTNPSR1
SCHEMBL30368425 0.77 DRD2 (0.38) HTR6NQO2IDO1HTTNPSR1
SCHEMBL3222887 0.76 L3MBTL1 (0.45) HTR6L3MBTL1MEN1KMT2APIM1
SCHEMBL18858474 0.76 L3MBTL1 (0.49) HTR6L3MBTL1PDE10APIM1MARK3
SCHEMBL13686071 0.76 HTR6 (0.41) HTR6NQO2LATS1IDO1
SCHEMBL1587770 0.75 PIM1 (0.42) HTR6L3MBTL1MEN1KMT2APIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585876-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-09-08 US disclosed
EP-1456206-B1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2008-05-21 EP disclosed
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2008-05-15 US disclosed
US-7297705-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-11-20 US disclosed
US-20050020598-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-01-27 US disclosed
US-6800640-B2 ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS WYETH 2004-10-05 US disclosed
US-20030171395-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-09-11 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 (3 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-20030171395-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A HTR6 1/4885L3MBTL1 3248/4885NQO2 1609/4885
US-20050020598-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR7 HTR6 1/4885L3MBTL1 3586/4885NQO2 1285/4885
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR5A, HTR7 HTR6 1/4885L3MBTL1 3586/4885NQO2 1285/4885

“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.