SCHEMBL1006313

SCHEMBL1006313

O=C(O)c1cccc2oc(N3CCOCC3)nc12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.60
KCNH2 Q12809 2/20 0.60
HCAR2 Q8TDS4 1/20 0.46
HTR6 P50406 4/20 0.46
PRKDC P78527 4/20 0.46
PKM P14618 1/20 0.46
ELANE P08246 1/20 0.46
XRCC6 P12956 1/20 0.45
XRCC5 P13010 1/20 0.45
SLC16A3 O15427 1/20 0.44
PIK3CD O00329 2/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
KMO O15229 1/20 0.43
IDO1 P14902 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 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
SCHEMBL1004884 0.88 HTR6 (0.50) HTR3AKCNH2HCAR2HTR6ELANE
SCHEMBL1004342 0.85 HTR6 (0.58) HTR3AKCNH2HCAR2HTR6IDO1
SCHEMBL1004911 0.85 HTR3A (0.59) HTR3AKCNH2PRKDCPIK3CB
SCHEMBL1005140 0.84 HTR3A (0.45) HTR3AKCNH2HCAR2HTR6IDO1
SCHEMBL1008109 0.83 HTR3A (0.44) HTR3AKCNH2HCAR2HTR6IDO1
SCHEMBL1005978 0.83 HCAR2 (0.47) HTR3AKCNH2HCAR2HTR6
SCHEMBL1054669 0.81 HTR6 (0.54) HTR3AKCNH2HCAR2HTR6
SCHEMBL1005043 0.79 HTR3A (0.46) HTR3AKCNH2HCAR2HTR6PIK3CA
SCHEMBL3984980 0.79 HTR3A (0.65) HTR3AKCNH2
SCHEMBL5108964 0.79 HTR3A (0.65) HTR3AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101528225-B 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RES INC 2013-07-17 CN disclosed
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
CN-101528225-A 2-aminobenzoxazole carboxamides as 5HT3 modulators AMR TECHNOLOGY INC (US) 2009-09-09 CN disclosed
EP-2061460-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS Albany Molecular Research, Inc. (US) 2009-05-27 EP disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 US disclosed
WO-2008019372-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2008-02-14 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 (1 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-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A HTR3A 3/4885KCNH2 1871/4885HCAR2 289/4885

“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.