SCHEMBL1004908

SCHEMBL1004908

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.46
IDO1 P14902 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CMKLR1 Q99788 7/20 0.42
TOP2A P11388 2/20 0.39
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 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
SCHEMBL1004514 0.88 HTR3A (0.54) HTR3AIDO1MAOAMAOBCMKLR1
Lithium Ion SCHEMBL1004907 0.86 HTR3A (0.46) HTR3AIDO1MAOAMAOBCMKLR1
SCHEMBL1005419 0.84 HTR3A (0.53) HTR3AIDO1MAOAMAOBCMKLR1
SCHEMBL1005843 0.84 TOP2A (0.51) HTR3ATOP2AALDH1A1KMT2ANPC1
Hydrochloric Acid SCHEMBL1005853 0.84 CMKLR1 (0.41) HTR3AIDO1MAOAMAOBCMKLR1
SCHEMBL1003561 0.81 HTR3A (0.55) HTR3AIDO1MAOAMAOBCMKLR1
SCHEMBL27755483 0.79 HTR3A (0.47) HTR3AIDO1MAOAMAOBCMKLR1
SCHEMBL24163185 0.76 HTR3A (0.48) HTR3ACMKLR1TOP2AALDH1A1KMT2A
SCHEMBL7721868 0.76 MAOB (0.46) HTR3AIDO1MAOAMAOBCMKLR1
SCHEMBL30445192 0.76 MAOB (0.46) HTR3AIDO1MAOAMAOBCMKLR1

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.