SCHEMBL6491533

SCHEMBL6491533

CC(C)(C)OC(=O)N1CCC(Oc2cccc3[nH]ccc23)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.48
JAK2 O60674 5/20 0.48
JAK1 P23458 5/20 0.48
TYK2 P29597 4/20 0.48
JAK3 P52333 2/20 0.48
KDM1A O60341 1/20 0.48
PDE4B Q07343 2/20 0.45
USP30 Q70CQ3 1/20 0.45
PIK3CD O00329 4/20 0.45
PIK3CA P42336 2/20 0.45
PIK3CB P42338 2/20 0.45
PIK3CG P48736 2/20 0.45
BRD4 O60885 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
PARP1 P09874 1/20 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
SCHEMBL3934713 0.93 GPR119 (0.55) GPR119JAK2JAK1TYK2JAK3
SCHEMBL14202662 0.83 PIK3CD (0.51) GPR119KDM1APDE4BUSP30PIK3CD
SCHEMBL6490817 0.83 PIK3CD (0.49) GPR119KDM1APDE4BUSP30PIK3CD
SCHEMBL14143336 0.79 JAK1 (0.57) GPR119JAK2JAK1TYK2JAK3
SCHEMBL5462157 0.79 STS (0.51) GPR119KDM1APDE4BUSP30PIK3CD
SCHEMBL3794778 0.78 KDM1A (0.54) GPR119JAK2JAK1KDM1APDE4B
SCHEMBL3111017 0.78 RBP4 (0.57) GPR119KDM1APDE4BUSP30PIK3CD
SCHEMBL1927899 0.78 USP30 (0.52) GPR119JAK2JAK1KDM1APDE4B
SCHEMBL5242551 0.78 JAK3 (0.44) JAK2JAK1TYK2JAK3BRD4
SCHEMBL6495125 0.78 KDM1A (0.54) GPR119KDM1APDE4BUSP30PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065186-A1 Heterocyclyloxy-, -thioxy-and-aminobenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-03-24 US disclosed
US-6815456-B2 ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS WYETH 2004-11-09 US disclosed
EP-1385842-A1 HETEROCYCLYLOXY-, -THIOXY- AND -AMINOBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2004-02-04 EP disclosed
US-20030069278-A1 Heterocyclyloxy-, -thioxy- and -aminobenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2003-04-10 US disclosed
WO-2002085892-A1 HETEROCYCLYLOXY-, -THIOXY- AND -AMINOBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2002-10-31 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 (2 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-20050065186-A1 Heterocyclyloxy-, -thioxy-and-aminobenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR5A GPR119 176/4885JAK2 604/4885JAK1 1381/4885
US-20030069278-A1 Heterocyclyloxy-, -thioxy- and -aminobenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR5A GPR119 175/4885JAK2 573/4885JAK1 1029/4885

“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.