SCHEMBL1006345

SCHEMBL1006345

CC(C)C1CN(c2nc3c(C(=O)O)cccc3o2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 12/20 0.53
NR1H2 P55055 12/20 0.53
NAAA Q02083 1/20 0.40
HTR3A P46098 4/20 0.40
KCNH2 Q12809 2/20 0.40
HTR6 P50406 1/20 0.38

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
SCHEMBL1006343 1.00 NR1H3 (0.53) NR1H3NR1H2NAAAHTR3AKCNH2
SCHEMBL1008242 0.91 NR1H3 (0.49) NR1H3NR1H2NAAAHTR3AKCNH2
SCHEMBL1008240 0.91 NR1H3 (0.49) NR1H3NR1H2NAAAHTR3AKCNH2
SCHEMBL1005752 0.87 NAAA (0.49) NR1H3NR1H2NAAAHTR3AKCNH2
SCHEMBL1006503 0.87 NR1H3 (0.42) NR1H3NR1H2NAAAHTR3AKCNH2
SCHEMBL1007797 0.83 HTR3A (0.66) HTR3AKCNH2
SCHEMBL1004307 0.81 HCAR2 (0.47) NAAAHTR6
Lithium Ion SCHEMBL1005750 0.80 MAP4K4 (0.49) NR1H3NR1H2NAAAHTR3AKCNH2
SCHEMBL1006760 0.79 NAAA (0.47) NR1H3NR1H2NAAAHTR3AKCNH2
SCHEMBL1006076 0.78 HTR3A (0.42) NR1H3NR1H2NAAAHTR3AKCNH2

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 NR1H3 4594/4885NR1H2 4529/4885NAAA 856/4885

“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.