SCHEMBL1006503

SCHEMBL1006503

CC(C)C[C@H]1CN(c2nc3c(C(=O)O)cccc3o2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 7/20 0.42
NR1H2 P55055 7/20 0.42
HTR3A P46098 4/20 0.41
F2RL3 Q96RI0 2/20 0.40
PARP1 P09874 1/20 0.40
DPP4 P27487 1/20 0.40
NAAA Q02083 1/20 0.39
HTR6 P50406 2/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNH2 Q12809 2/20 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
SCHEMBL1006076 0.92 HTR3A (0.42) NR1H3NR1H2HTR3AF2RL3PARP1
SCHEMBL1006345 0.87 NR1H3 (0.53) NR1H3NR1H2HTR3ANAAAHTR6
SCHEMBL1006343 0.87 NR1H3 (0.53) NR1H3NR1H2HTR3ANAAAHTR6
SCHEMBL1005752 0.85 NAAA (0.49) NR1H3NR1H2HTR3ANAAAKCNH2
SCHEMBL1005084 0.80 PARP1 (0.41) NR1H3NR1H2HTR3AF2RL3PARP1
SCHEMBL1005082 0.80 PARP1 (0.41) NR1H3NR1H2HTR3AF2RL3PARP1
SCHEMBL1004307 0.79 HCAR2 (0.47) PARP1NAAAHTR6LMNAHTT
SCHEMBL1008240 0.78 NR1H3 (0.49) NR1H3NR1H2HTR3ANAAAKCNH2
SCHEMBL1008242 0.78 NR1H3 (0.49) NR1H3NR1H2HTR3ANAAAKCNH2
Lithium Ion SCHEMBL1005750 0.78 MAP4K4 (0.49) NR1H3NR1H2HTR3APARP1NAAA

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 NR1H3 4594/4885NR1H2 4529/4885HTR3A 3/4885

“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.