SCHEMBL1004307

SCHEMBL1004307

CC(C)(C)OC(=O)N1CCN(c2nc3c(C(=O)O)cccc3o2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.47
CKS1B P61024 2/20 0.46
SKP1 P63208 2/20 0.46
SKP2 Q13309 2/20 0.46
PARP1 P09874 1/20 0.45
NAAA Q02083 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.44
BACE1 P56817 3/20 0.44
PTPN11 Q06124 1/20 0.43
HTR6 P50406 2/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
ACHE P22303 1/20 0.42
MAP4K4 O95819 1/20 0.42
MAPK8 P45983 1/20 0.41
GPR119 Q8TDV5 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
SCHEMBL1005073 0.89 PARP1 (0.44) CKS1BSKP1SKP2PARP1NAAA
SCHEMBL1005641 0.84 HTR3A (0.45) PARP1LMNAPOLBKMT2AGPR119
SCHEMBL1004366 0.84 ABCB1 (0.44) PARP1LMNAGPR119
SCHEMBL1005163 0.84 GPR119 (0.43) HCAR2CKS1BSKP1SKP2PARP1
SCHEMBL1005642 0.84 HTR3A (0.45) PARP1LMNAPOLBKMT2AGPR119
SCHEMBL1003480 0.84 ABCB1 (0.44) PARP1LMNAGPR119
SCHEMBL1005752 0.83 NAAA (0.49) NAAAMAP4K4GPR119
SCHEMBL1005328 0.81 PARP1 (0.38) CKS1BSKP1SKP2PARP1POLB
SCHEMBL1006343 0.81 NR1H3 (0.53) NAAAHTR6
SCHEMBL1006345 0.81 NR1H3 (0.53) NAAAHTR6

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 HCAR2 289/4885CKS1B 903/4885SKP1 3519/4885

“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.