SCHEMBL6490817

SCHEMBL6490817

CC(C)(C)OC(=O)N1CCC(Oc2cccc3[nH]ncc23)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.49
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
GPR119 Q8TDV5 2/20 0.47
KDM1A O60341 1/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CG P48736 2/20 0.46
PDE4B Q07343 2/20 0.44
USP30 Q70CQ3 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
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
SCHEMBL6491533 0.83 GPR119 (0.48) PIK3CDGPR119KDM1APIK3CAPIK3CB
SCHEMBL22608974 0.82 IDO1 (0.50) PIK3CDIDO1TDO2PDE4BPARP1
SCHEMBL14202662 0.81 PIK3CD (0.51) PIK3CDGPR119KDM1APIK3CAPIK3CB
SCHEMBL17739093 0.81 CYP4F2 (0.48) PIK3CAPARP1
SCHEMBL5416839 0.81 PIK3CD (0.47) PIK3CDIDO1TDO2PIK3CAPIK3CB
SCHEMBL27232265 0.81 PIK3CD (0.52) PIK3CDIDO1TDO2PIK3CAPIK3CB
SCHEMBL27228977 0.81 PIK3CD (0.52) PIK3CDIDO1TDO2PIK3CAPIK3CB
SCHEMBL5462157 0.77 STS (0.51) PIK3CDGPR119KDM1APIK3CAPIK3CB
SCHEMBL1927899 0.77 USP30 (0.52) PIK3CDGPR119KDM1APIK3CAPIK3CB
SCHEMBL3111017 0.77 RBP4 (0.57) PIK3CDGPR119KDM1APIK3CAPIK3CB

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 PIK3CD 4133/4885IDO1 190/4885TDO2 71/4885
US-20030069278-A1 Heterocyclyloxy-, -thioxy- and -aminobenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR5A PIK3CD 4217/4885IDO1 176/4885TDO2 95/4885

“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.