SCHEMBL1005589

SCHEMBL1005589

COC(=O)c1cccc2oc(N3CCOCC3c3ccccc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 12/20 0.49
TOP2A P11388 2/20 0.46
KCNH2 Q12809 2/20 0.44
PIK3CB P42338 1/20 0.41
MDM2 Q00987 2/20 0.39
NR3C2 P08235 1/20 0.38

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
SCHEMBL1005271 0.89 HTR3A (0.49) HTR3AKCNH2NR3C2
SCHEMBL1005008 0.86 HTR3A (0.64) HTR3ATOP2AKCNH2
SCHEMBL1004431 0.86 HTR3A (0.64) HTR3ATOP2AKCNH2
SCHEMBL1004430 0.86 HTR3A (0.64) HTR3ATOP2AKCNH2
SCHEMBL1003651 0.84 TOP2A (0.46) HTR3ATOP2AKCNH2
SCHEMBL1004320 0.84 HTR3A (0.65) HTR3ATOP2AKCNH2PIK3CB
SCHEMBL1005154 0.84 HTR3A (0.65) HTR3ATOP2AKCNH2PIK3CB
SCHEMBL1006354 0.83 HTR3A (0.67) HTR3ATOP2AKCNH2PIK3CB
SCHEMBL1006361 0.83 HTR3A (0.67) HTR3ATOP2AKCNH2PIK3CB
SCHEMBL27755485 0.83 HTR3A (0.67) HTR3ATOP2AKCNH2PIK3CB

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 3/4885TOP2A 323/4885KCNH2 1871/4885

“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.