SCHEMBL1006561

SCHEMBL1006561

CC1C(=O)NCCN1c1nc2c(C(=O)O)cccc2o1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 18/20 0.45
IDO1 P14902 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KCNH2 Q12809 3/20 0.38
CYP2C19 P33261 1/20 0.38
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
Potassium Ion SCHEMBL3984231 0.90 HTR3A (0.45) HTR3AKCNH2CYP2C19HTR6
SCHEMBL1005127 0.89 HTR3A (0.45) HTR3AKCNH2CYP2C19
SCHEMBL1005128 0.89 HTR3A (0.45) HTR3AKCNH2CYP2C19
SCHEMBL3984179 0.82 HTR3A (0.35) HTR3AMAOBKCNH2HTR6
SCHEMBL8221837 0.79 HTR3A (0.75) HTR3AKCNH2CYP2C19
Hydrochloric Acid SCHEMBL1005651 0.79 HTR3A (0.74) HTR3AKCNH2CYP2C19
SCHEMBL3984980 0.76 HTR3A (0.65) HTR3AKCNH2CYP2C19
SCHEMBL5108964 0.76 HTR3A (0.65) HTR3AKCNH2CYP2C19
SCHEMBL3984982 0.76 HTR3A (0.65) HTR3AKCNH2CYP2C19
SCHEMBL1005143 0.76 HTR6 (0.46) HTR3AIDO1MAOAMAOBKCNH2

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 HTR3A 3/4885IDO1 43/4885MAOA 378/4885

“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.