SCHEMBL1004744

SCHEMBL1004744

C[C@H]1CN(C(=O)N2CCCCC2)C[C@H](C)N1c1nc2c(C(=O)O)cccc2o1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 19/20 0.50
KCNH2 Q12809 3/20 0.47
CYP2C19 P33261 1/20 0.47
USP2 O75604 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL3984177 1.00 HTR3A (0.50) HTR3AKCNH2CYP2C19USP2ALDH1A1
SCHEMBL3990446 0.99 HTR3A (0.51) HTR3AKCNH2CYP2C19
SCHEMBL1005990 0.99 HTR3A (0.51) HTR3AKCNH2CYP2C19
SCHEMBL1004568 0.89 HTR3A (0.50) HTR3AKCNH2CYP2C19ALDH1A1
SCHEMBL3984149 0.89 HTR3A (0.50) HTR3AKCNH2CYP2C19ALDH1A1
SCHEMBL3988561 0.88 HTR3A (0.51) HTR3AKCNH2CYP2C19ALDH1A1
SCHEMBL1006097 0.88 HTR3A (0.51) HTR3AKCNH2CYP2C19ALDH1A1
SCHEMBL3980924 0.85 HTR3A (0.51) HTR3AKCNH2CYP2C19
SCHEMBL1006765 0.85 HTR3A (0.51) HTR3AKCNH2CYP2C19
SCHEMBL1006502 0.83 HTR3A (0.49) HTR3AKCNH2CYP2C19

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 3/4885KCNH2 1871/4885CYP2C19 169/4885

“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.