SCHEMBL1004342

SCHEMBL1004342

CN1CCN(c2nc3c(C(=O)O)cccc3o2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.58
HTR3A P46098 4/20 0.48
KCNH2 Q12809 2/20 0.48
HCAR2 Q8TDS4 1/20 0.48
NAAA Q02083 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
IDO1 P14902 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL1054669 0.95 HTR6 (0.54) HTR6HTR3AKCNH2HCAR2NAAA
SCHEMBL1004884 0.86 HTR6 (0.50) HTR6HTR3AKCNH2HCAR2LMNA
SCHEMBL1007229 0.86 HTR6 (0.52) HTR6HTR3AKCNH2HCAR2SMN1; SMN2
SCHEMBL1006313 0.85 HTR3A (0.60) HTR6HTR3AKCNH2HCAR2IDO1
SCHEMBL1008109 0.85 HTR3A (0.44) HTR6HTR3AKCNH2HCAR2NAAA
SCHEMBL1005978 0.85 HCAR2 (0.47) HTR6HTR3AKCNH2HCAR2L3MBTL1
SCHEMBL1080222 0.82 HTR6 (0.48) HTR6HTR3AKCNH2SMN1; SMN2GAA
SCHEMBL1004307 0.81 HCAR2 (0.47) HTR6HCAR2NAAALMNAHTT
SCHEMBL1005043 0.81 HTR3A (0.46) HTR6HTR3AKCNH2HCAR2LMNA
SCHEMBL1005140 0.80 HTR3A (0.45) HTR6HTR3AKCNH2HCAR2HTT

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 4 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
EP-2061460-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS Albany Molecular Research, Inc. (US) 2009-05-27 EP disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 US disclosed
WO-2008019372-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2008-02-14 WO 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 HTR6 14/4885HTR3A 3/4885KCNH2 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.