SCHEMBL1007229

SCHEMBL1007229

COC(=O)c1cccc2oc(N3CCN(C)CC3)nc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.52
TOP2A P11388 2/20 0.49
HTR3A P46098 4/20 0.48
KCNH2 Q12809 2/20 0.48
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
WDR5 P61964 1/20 0.42
MAP4K1 Q92918 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
PIK3CB P42338 1/20 0.41
SIRT6 Q8N6T7 1/20 0.40

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
SCHEMBL1080222 0.95 HTR6 (0.48) HTR6TOP2AHTR3AKCNH2KMT2A
SCHEMBL1006005 0.89 TOP2A (0.50) HTR6TOP2AHTR3AKCNH2KMT2A
SCHEMBL1007867 0.88 ALDH1A1 (0.48) HTR6TOP2AHTR3AKCNH2KMT2A
SCHEMBL1004911 0.88 HTR3A (0.59) TOP2AHTR3AKCNH2KDM4EALDH1A1
SCHEMBL1008094 0.87 TOP2A (0.47) TOP2AHTR3AKCNH2KMT2AALDH1A1
SCHEMBL1005890 0.87 TOP2A (0.48) HTR6TOP2AHTR3AKCNH2KMT2A
SCHEMBL1004342 0.86 HTR6 (0.58) HTR6HTR3AKCNH2KMT2AGAA
SCHEMBL1007287 0.85 HTR3A (0.48) TOP2AHTR3AKCNH2KMT2AGAA
SCHEMBL1006464 0.84 TOP2A (0.46) TOP2AHTR3AKCNH2KMT2AKDM4E
SCHEMBL1005073 0.83 PARP1 (0.44) TOP2AHTR3AKCNH2KMT2AGAA

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 HTR6 14/4885TOP2A 323/4885HTR3A 3/4885

“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.