SCHEMBL1059014

SCHEMBL1059014

C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1c1nc2c(C(=O)NC3CN4CCC3CC4)ccc(F)c2o1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 11/20 0.55
USP30 Q70CQ3 2/20 0.45
KCNH2 Q12809 4/20 0.45

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
SCHEMBL1059013 1.00 HTR3A (0.55) HTR3AUSP30KCNH2
SCHEMBL12928319 0.85 HTR3A (0.59) HTR3AKCNH2
Hydrochloric Acid SCHEMBL1060123 0.84 HTR3A (0.59) HTR3AKCNH2
Hydrochloric Acid SCHEMBL1060128 0.84 HTR3A (0.59) HTR3AKCNH2
SCHEMBL1005979 0.83 USP30 (0.43) USP30
SCHEMBL4409740 0.83 USP30 (0.43) USP30
SCHEMBL1004688 0.83 USP30 (0.43) USP30
SCHEMBL1005054 0.81 HTR3A (0.55) HTR3AKCNH2
SCHEMBL1006360 0.79 HTR3A (0.64) HTR3AKCNH2
SCHEMBL1055449 0.76 HTR3A (0.69) HTR3AKCNH2

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 3/4885USP30 4268/4885KCNH2 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.