SCHEMBL1005033

SCHEMBL1005033

COC(=O)c1cccc2oc(N3C[C@@H](C)O[C@@H](C)C3)nc12

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 11/20 0.61
TOP2A P11388 2/20 0.47
KDM4E B2RXH2 1/20 0.45
KCNH2 Q12809 3/20 0.45
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL3990476 1.00 HTR3A (0.61) HTR3ATOP2AKDM4EKCNH2HCRTR1
SCHEMBL3990473 1.00 HTR3A (0.61) HTR3ATOP2AKDM4EKCNH2HCRTR1
SCHEMBL3987336 0.87 HTR3A (0.48) HTR3ATOP2AKCNH2HCRTR1HCRTR2
SCHEMBL4293504 0.87 HTR3A (0.61) HTR3AKDM4EKCNH2HCRTR1HCRTR2
SCHEMBL4293502 0.87 HTR3A (0.61) HTR3AKDM4EKCNH2HCRTR1HCRTR2
SCHEMBL1007555 0.87 HTR3A (0.61) HTR3AKDM4EKCNH2HCRTR1HCRTR2
SCHEMBL1006005 0.82 TOP2A (0.50) HTR3ATOP2AKDM4EKCNH2ALDH1A1
SCHEMBL1007229 0.81 HTR6 (0.52) HTR3ATOP2AKDM4EKCNH2MEN1
SCHEMBL1004911 0.81 HTR3A (0.59) HTR3ATOP2AKDM4EKCNH2ALDH1A1
SCHEMBL1007287 0.81 HTR3A (0.48) HTR3ATOP2AKCNH2KMT2AGAA

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 2 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
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 US 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 323/4885KDM4E 2017/4885

“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.