SCHEMBL1006086

SCHEMBL1006086

CC(C)[C@H]1CN(Cc2ccccc2)CCN1c1nc2c(C(=O)O)cccc2o1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.45
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
PPARD Q03181 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
HTR6 P50406 1/20 0.37
SCN4A P35499 2/20 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
SCHEMBL1006088 1.00 HTR3A (0.45) HTR3ANR1H2NR1H3NR1H4PPARD
SCHEMBL1006182 0.91 HTR3A (0.44) HTR3ANR1H4
SCHEMBL1006184 0.91 HTR3A (0.44) HTR3ANR1H4
SCHEMBL1004188 0.87 HTR3A (0.48) HTR3APPARDPPARGHTR6
SCHEMBL1004189 0.87 HTR3A (0.48) HTR3APPARDPPARGHTR6
SCHEMBL1004885 0.86 HTR3A (0.46) HTR3ANR1H4PPARDPPARGPPARA
SCHEMBL1004886 0.86 HTR3A (0.46) HTR3ANR1H4PPARDPPARGPPARA
SCHEMBL3984966 0.85 PPARD (0.39) HTR3ANR1H2NR1H3NR1H4PPARD
SCHEMBL1005672 0.79 HTR3A (0.48) HTR3APPARDPPARG
SCHEMBL1005673 0.79 HTR3A (0.48) HTR3APPARDPPARG

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 3/4885NR1H2 4529/4885NR1H3 4594/4885

“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.