SCHEMBL1006464

SCHEMBL1006464

COC(=O)c1cccc2oc(N3CCC4(CC3)OCCO4)nc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.46
HTR3A P46098 4/20 0.46
KCNH2 Q12809 2/20 0.46
MAPK8 P45983 4/20 0.41
MAPK10 P53779 4/20 0.41
CRBN Q96SW2 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIK3CB P42338 1/20 0.40
PTPN11 Q06124 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 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
SCHEMBL1004911 0.86 HTR3A (0.59) TOP2AHTR3AKCNH2PIK3CBKDM4E
Lithium Ion SCHEMBL1005139 0.85 HTR3A (0.45) HTR3AKCNH2MAPK8MAPK10SMN1; SMN2
SCHEMBL1005140 0.85 HTR3A (0.45) HTR3AKCNH2POLBSMN1; SMN2PTPN11
SCHEMBL1006005 0.85 TOP2A (0.50) TOP2AHTR3AKCNH2SMN1; SMN2PIK3CB
SCHEMBL1007229 0.84 HTR6 (0.52) TOP2AHTR3AKCNH2SMN1; SMN2PIK3CB
SCHEMBL1005890 0.83 TOP2A (0.48) TOP2AHTR3AKCNH2PIK3CBKDM4E
SCHEMBL1007867 0.82 ALDH1A1 (0.48) TOP2AHTR3AKCNH2PIK3CBKDM4E
SCHEMBL1007287 0.81 HTR3A (0.48) TOP2AHTR3AKCNH2SMN1; SMN2KMT2A
SCHEMBL1008094 0.81 TOP2A (0.47) TOP2AHTR3AKCNH2POLBPIK3CB
SCHEMBL1080222 0.80 HTR6 (0.48) TOP2AHTR3AKCNH2SMN1; SMN2KDM4E

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 TOP2A 323/4885HTR3A 3/4885KCNH2 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.