SCHEMBL1005604

SCHEMBL1005604

CC(C)[C@H]1COCCN1c1nc2c(C(=O)O)cccc2o1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 19/20 0.67
KCNH2 Q12809 3/20 0.46
CYP2C19 P33261 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 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
SCHEMBL1005606 1.00 HTR3A (0.67) HTR3AKCNH2CYP2C19NR1H2NR1H3
SCHEMBL1006080 1.00 HTR3A (0.67) HTR3AKCNH2CYP2C19NR1H2NR1H3
SCHEMBL27755485 0.89 HTR3A (0.67) HTR3AKCNH2
SCHEMBL1006361 0.89 HTR3A (0.67) HTR3AKCNH2
SCHEMBL1006354 0.89 HTR3A (0.67) HTR3AKCNH2
SCHEMBL5108964 0.86 HTR3A (0.65) HTR3AKCNH2CYP2C19
SCHEMBL3984980 0.86 HTR3A (0.65) HTR3AKCNH2CYP2C19
SCHEMBL3984982 0.86 HTR3A (0.65) HTR3AKCNH2CYP2C19
SCHEMBL1005660 0.85 HTR3A (0.68) HTR3AKCNH2
SCHEMBL1005657 0.85 HTR3A (0.68) 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 3/4885KCNH2 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.