SCHEMBL3204579

SCHEMBL3204579

CC(C)(C)OC(=O)NCCc1c[nH]c2cccnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.51
MTNR1A P48039 2/20 0.48
MTNR1B P49286 1/20 0.48
HDAC1 Q13547 1/20 0.48
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BCHE P06276 1/20 0.45
NQO2 P16083 1/20 0.45
FAAH O00519 2/20 0.45
PTGS2 P35354 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
CYP3A4 P08684 2/20 0.42

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
SCHEMBL8142211 0.83 MTNR1A (0.66) IDO1MTNR1AMTNR1BHDAC1KDM4E
SCHEMBL3886074 0.82 MTNR1A (0.70) IDO1MTNR1AMTNR1BHDAC1NQO2
SCHEMBL31211536 0.82 MTNR1A (0.73) IDO1MTNR1AMTNR1BKDM4ENQO2
SCHEMBL25792307 0.82 MTNR1A (0.73) IDO1MTNR1AMTNR1BKDM4ENQO2
SCHEMBL3210049 0.81 HDAC1 (0.54) MTNR1AMTNR1BHDAC1FAAHPTGS2
SCHEMBL5745010 0.81 MEN1 (0.67) MTNR1AFAAHMEN1LMNACYP1A2
SCHEMBL19410133 0.79 PKM (0.42) MTNR1AMTNR1BHDAC1MEN1LMNA
SCHEMBL3194596 0.78 CDK4 (0.43) HDAC1
SCHEMBL6554649 0.78 NQO2 (0.56) IDO1KDM4EL3MBTL1BCHENQO2
SCHEMBL25734959 0.78 MTNR1A (0.53) IDO1MTNR1AMTNR1BBCHENQO2

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-20100029629-A1 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
US-20100029629-A1 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
US-20100029629-A1 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
WO-2010011546-A2 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-28 WO disclosed
WO-2010011546-A2 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-28 WO disclosed
US-7585876-B2 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-09-08 US disclosed
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
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-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-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
EP-1456206-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2004-09-15 EP disclosed
US-20030171395-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands WYETH 2003-09-11 US disclosed
WO-2003053970-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2003-07-03 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 (4 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 IDO1 181/4885MTNR1A 59/4885MTNR1B 70/4885
US-20050020598-A1 Azaindolylalkylamine derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR7 IDO1 192/4885MTNR1A 76/4885MTNR1B 80/4885
US-20080114023-A1 AZAINDOLYLALKYLAMINE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, HTR5A, HTR7 IDO1 192/4885MTNR1A 76/4885MTNR1B 80/4885
US-20100029629-A1 ACYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR1A, HTR5A IDO1 782/4885MTNR1A 58/4885MTNR1B 52/4885

“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.