SCHEMBL1005580

SCHEMBL1005580

CN1CCN(c2nc3c(C(=O)O)cc(Cl)cc3o2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.40
HRH4 Q9H3N8 5/20 0.38
HTR3A P46098 1/20 0.38
KCNH2 Q12809 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
CNR2 P34972 2/20 0.37
MET P08581 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1008232 0.87 KMT2A (0.42) HTR6HRH4HTR3AKCNH2TSHR
SCHEMBL1004342 0.80 HTR6 (0.58) HTR6HTR3AKCNH2HCAR2LMNA
SCHEMBL1004490 0.77 HTR3A (0.63) HTR3AKCNH2
Hydrochloric Acid SCHEMBL1005627 0.76 HTR3A (0.62) HTR3AKCNH2
SCHEMBL1054669 0.76 HTR6 (0.54) HTR6HTR3AKCNH2HCAR2
SCHEMBL1006504 0.75 HTR3A (0.49) HTR3A
SCHEMBL1004448 0.73 AKR1C4 (0.42) HTR3AKCNH2TP53ALOX15L3MBTL1
SCHEMBL1005607 0.73 HTR3A (0.50) HTR3AKCNH2
SCHEMBL1005609 0.73 HTR3A (0.50) HTR3AKCNH2
SCHEMBL5103194 0.72 HTR3A (0.51) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101528225-B 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RES INC 2013-07-17 CN disclosed
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
CN-101528225-A 2-aminobenzoxazole carboxamides as 5HT3 modulators AMR TECHNOLOGY INC (US) 2009-09-09 CN 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 14/4885HRH4 174/4885HTR3A 3/4885

“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.