SCHEMBL1004552

SCHEMBL1004552

COC(=O)c1cccc2oc(N3CCN(C(=O)OC(C)(C)C)CC3C(C)(C)C)nc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.46
TOP2A P11388 2/20 0.40
PARP1 P09874 6/20 0.39
NR1H2 P55055 1/20 0.37
POLB P06746 1/20 0.37
KCNH2 Q12809 1/20 0.36
MMP13 P45452 1/20 0.36
PKM P14618 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL1004553 1.00 HTR3A (0.46) HTR3ATOP2APARP1NR1H2POLB
SCHEMBL1004914 0.91 SMARCA2 (0.43) HTR3ATOP2APARP1TP53MAPT
SCHEMBL1004487 0.91 SMARCA2 (0.43) HTR3ATOP2APARP1TP53MAPT
SCHEMBL1004489 0.91 SMARCA2 (0.43) HTR3ATOP2APARP1TP53MAPT
SCHEMBL1005641 0.91 HTR3A (0.45) HTR3APARP1POLBMMP13TP53
SCHEMBL1005642 0.91 HTR3A (0.45) HTR3APARP1POLBMMP13TP53
SCHEMBL1005073 0.84 PARP1 (0.44) HTR3ATOP2APARP1POLBKCNH2
SCHEMBL1004469 0.82 HTR3A (0.48) HTR3ATOP2APARP1KCNH2
SCHEMBL1004355 0.82 HTR3A (0.48) HTR3ATOP2APARP1KCNH2
SCHEMBL1005158 0.82 HTR3A (0.48) HTR3ATOP2APARP1KCNH2

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 323/4885PARP1 1738/4885

“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.