SCHEMBL1005641

SCHEMBL1005641

CC(C)(C)OC(=O)N1CCN(c2nc3c(C(=O)O)cccc3o2)[C@@H](C(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.45
PARP1 P09874 4/20 0.39
HDAC6 Q9UBN7 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
ABCB1 P08183 1/20 0.37
USP30 Q70CQ3 2/20 0.37
MMP13 P45452 1/20 0.37
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
PBRM1 Q86U86 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL1005642 1.00 HTR3A (0.45) HTR3APARP1HDAC6POLBMEN1
SCHEMBL1004552 0.91 HTR3A (0.46) HTR3APARP1POLBMMP13TP53
SCHEMBL1004553 0.91 HTR3A (0.46) HTR3APARP1POLBMMP13TP53
SCHEMBL1004366 0.90 ABCB1 (0.44) HTR3APARP1ABCB1SMARCA2SMARCA4
SCHEMBL1003480 0.90 ABCB1 (0.44) HTR3APARP1ABCB1SMARCA2SMARCA4
SCHEMBL1004307 0.84 HCAR2 (0.47) PARP1POLBKMT2ALMNAGPR119
SCHEMBL1006188 0.81 HTR3A (0.73) HTR3A
SCHEMBL1004489 0.81 SMARCA2 (0.43) HTR3APARP1ABCB1SMARCA2SMARCA4
SCHEMBL1004914 0.81 SMARCA2 (0.43) HTR3APARP1ABCB1SMARCA2SMARCA4
SCHEMBL1004487 0.81 SMARCA2 (0.43) HTR3APARP1ABCB1SMARCA2SMARCA4

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 3/4885PARP1 1738/4885HDAC6 1533/4885

“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.