SCHEMBL1007287

SCHEMBL1007287

COC(=O)c1cccc2oc(N3CCC(OC)CC3)nc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 10/20 0.48
KCNH2 Q12809 2/20 0.48
TOP2A P11388 2/20 0.47
MGLL Q99685 1/20 0.44
LMNA P02545 4/20 0.42
MAPT P10636 2/20 0.42
RIPK1 Q13546 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39

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
Lithium Ion SCHEMBL1005042 0.89 HTR3A (0.46) HTR3AKCNH2MGLLLMNAMAPT
SCHEMBL1005043 0.89 HTR3A (0.46) HTR3AKCNH2TOP2AMGLLLMNA
SCHEMBL1006005 0.86 TOP2A (0.50) HTR3AKCNH2TOP2ALMNAMAPT
SCHEMBL1007229 0.85 HTR6 (0.52) HTR3AKCNH2TOP2ASMN1; SMN2TSHR
SCHEMBL1004911 0.85 HTR3A (0.59) HTR3AKCNH2TOP2AHSD17B10GAA
SCHEMBL1005890 0.84 TOP2A (0.48) HTR3AKCNH2TOP2AGAAKMT2A
SCHEMBL1007867 0.83 ALDH1A1 (0.48) HTR3AKCNH2TOP2AHSD17B10GAA
SCHEMBL1008094 0.82 TOP2A (0.47) HTR3AKCNH2TOP2AHSD17B10GAA
SCHEMBL1006464 0.81 TOP2A (0.46) HTR3AKCNH2TOP2ASMN1; SMN2GAA
SCHEMBL1080222 0.81 HTR6 (0.48) HTR3AKCNH2TOP2ASMN1; SMN2TSHR

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 1871/4885TOP2A 323/4885

“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.