SCHEMBL1004514

SCHEMBL1004514

CCN(CC)c1nc2c(C(=O)O)cccc2o1.[LiH]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.54
ELANE P08246 2/20 0.43
IDO1 P14902 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CMKLR1 Q99788 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SLC16A3 O15427 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
SLC16A1 P53985 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TOP2A P11388 2/20 0.40
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
PPARG P37231 1/20 0.37

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
SCHEMBL1004908 0.88 HTR3A (0.46) HTR3AIDO1MAOAMAOBCMKLR1
SCHEMBL27755483 0.87 HTR3A (0.47) HTR3AELANEIDO1MAOAMAOB
Lithium Ion SCHEMBL1004513 0.86 HTR3A (0.54) HTR3AELANECMKLR1SMN1; SMN2ALDH1A1
SCHEMBL1005419 0.82 HTR3A (0.53) HTR3AIDO1MAOAMAOBCMKLR1
SCHEMBL1003561 0.80 HTR3A (0.55) HTR3AIDO1MAOAMAOBCMKLR1
Hydrochloric Acid SCHEMBL1005853 0.77 CMKLR1 (0.41) HTR3AIDO1MAOAMAOBCMKLR1
SCHEMBL30445192 0.77 MAOB (0.46) HTR3AIDO1MAOAMAOBCMKLR1
SCHEMBL7721868 0.77 MAOB (0.46) HTR3AIDO1MAOAMAOBCMKLR1
SCHEMBL19298146 0.74 IDO1 (0.44) HTR3AELANEIDO1MAOAMAOB
SCHEMBL496431 0.74 MAOB (0.49) ELANEIDO1MAOAMAOBALDH1A1

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 3/4885ELANE 4093/4885IDO1 43/4885

“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.