SCHEMBL1005699

SCHEMBL1005699

C=CCN1CCN(c2nc3c(C(=O)O)cccc3o2)C(CC(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 15/20 0.47
HTR6 P50406 1/20 0.36
KCNH2 Q12809 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARD Q03181 2/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL1005698 1.00 HTR3A (0.47) HTR3AHTR6KCNH2LMNAHTT
SCHEMBL1006380 0.91 HTR3A (0.48) HTR3AKCNH2LMNAHTTSMN1; SMN2
SCHEMBL1006382 0.91 HTR3A (0.48) HTR3AKCNH2LMNAHTTSMN1; SMN2
SCHEMBL1004188 0.86 HTR3A (0.48) HTR3AHTR6LMNAHTTSMN1; SMN2
SCHEMBL1004189 0.86 HTR3A (0.48) HTR3AHTR6LMNAHTTSMN1; SMN2
SCHEMBL1006164 0.83 HTR3A (0.74) HTR3AKCNH2
SCHEMBL1005660 0.80 HTR3A (0.68) HTR3AKCNH2
SCHEMBL1005657 0.80 HTR3A (0.68) HTR3AKCNH2
SCHEMBL1005672 0.78 HTR3A (0.48) HTR3ALMNASMN1; SMN2PPARDPPARG
SCHEMBL1005673 0.78 HTR3A (0.48) HTR3ALMNASMN1; SMN2PPARDPPARG

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 3/4885HTR6 14/4885KCNH2 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.