SCHEMBL1005128

SCHEMBL1005128

COC(=O)c1cccc2oc(N3CCNC(=O)[C@@H]3C)nc12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 14/20 0.45
TOP2A P11388 2/20 0.43
KCNH2 Q12809 2/20 0.38
CYP2C19 P33261 1/20 0.38
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RIPK1 Q13546 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL1005127 1.00 HTR3A (0.45) HTR3ATOP2AKCNH2CYP2C19PKN1
SCHEMBL1006561 0.89 HTR3A (0.45) HTR3AKCNH2CYP2C19
Potassium Ion SCHEMBL3984231 0.88 HTR3A (0.45) HTR3AKCNH2CYP2C19
SCHEMBL1004233 0.79 HTR3A (0.46) HTR3ATOP2AKCNH2PKN1PKN2
SCHEMBL8221837 0.79 HTR3A (0.75) HTR3AKCNH2CYP2C19
Hydrochloric Acid SCHEMBL1005651 0.78 HTR3A (0.74) HTR3AKCNH2CYP2C19
SCHEMBL1004430 0.77 HTR3A (0.64) HTR3ATOP2AKCNH2
SCHEMBL1005008 0.77 HTR3A (0.64) HTR3ATOP2AKCNH2
SCHEMBL1004431 0.77 HTR3A (0.64) HTR3ATOP2AKCNH2
SCHEMBL1003473 0.76 TOP2A (0.45) HTR3ATOP2AKCNH2PKN1PKN2

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 323/4885KCNH2 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.