SCHEMBL1003561

SCHEMBL1003561

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.55
CMKLR1 Q99788 10/20 0.46
TOP2A P11388 2/20 0.42
IDO1 P14902 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 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
Lithium Ion SCHEMBL1003559 0.86 HTR3A (0.55) HTR3ACMKLR1TOP2A
SCHEMBL1005419 0.84 HTR3A (0.53) HTR3ACMKLR1TOP2AIDO1MAOA
SCHEMBL1004739 0.84 HTR3A (0.56) HTR3ATOP2AALDH1A1
SCHEMBL1004908 0.81 HTR3A (0.46) HTR3ACMKLR1TOP2AIDO1MAOA
SCHEMBL1004514 0.80 HTR3A (0.54) HTR3ACMKLR1TOP2AIDO1MAOA
Hydrochloric Acid SCHEMBL1005853 0.79 CMKLR1 (0.41) HTR3ACMKLR1TOP2AIDO1MAOA
SCHEMBL15808142 0.76 MAOB (0.46) HTR3ACMKLR1TOP2AIDO1MAOA
SCHEMBL496431 0.73 MAOB (0.49) TOP2AIDO1MAOAMAOBALDH1A1
SCHEMBL1004353 0.73 HTR3A (0.67) HTR3A
SCHEMBL1005524 0.73 TDP1 (0.49) HTR3ACMKLR1TOP2AIDO1MAOA

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 3/4885CMKLR1 1719/4885TOP2A 323/4885

“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.