SCHEMBL1005271

SCHEMBL1005271

O=C(O)c1cccc2oc(N3CCOCC3c3ccccc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 13/20 0.49
KCNH2 Q12809 2/20 0.43
NR3C2 P08235 2/20 0.41
NUDT1 P36639 1/20 0.39
PIK3C3 Q8NEB9 2/20 0.38
RIPK1 Q13546 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL1005589 0.89 HTR3A (0.49) HTR3AKCNH2NR3C2
SCHEMBL3984980 0.84 HTR3A (0.65) HTR3AKCNH2
SCHEMBL3984982 0.84 HTR3A (0.65) HTR3AKCNH2
SCHEMBL5108964 0.84 HTR3A (0.65) HTR3AKCNH2
SCHEMBL1003492 0.83 HTR3A (0.64) HTR3AKCNH2
SCHEMBL1006017 0.83 HTR3A (0.66) HTR3AKCNH2
SCHEMBL1004970 0.83 HTR3A (0.66) HTR3AKCNH2
SCHEMBL1004971 0.83 HTR3A (0.66) HTR3AKCNH2
SCHEMBL1006213 0.82 HTR3A (0.54) HTR3AKCNH2
SCHEMBL1006216 0.82 HTR3A (0.71) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US 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 1871/4885NR3C2 2079/4885

“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.