SCHEMBL1005082

SCHEMBL1005082

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
HTR3A P46098 5/20 0.41
NR1H2 P55055 4/20 0.39
NR1H3 Q13133 4/20 0.39
ATM Q13315 2/20 0.38
KCNH2 Q12809 2/20 0.38
DPP4 P27487 1/20 0.38
TOP2A P11388 2/20 0.37
F2RL3 Q96RI0 2/20 0.37
NAAA Q02083 3/20 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
SCHEMBL1005084 1.00 PARP1 (0.41) PARP1HTR3ANR1H2NR1H3ATM
SCHEMBL1006076 0.89 HTR3A (0.42) PARP1HTR3ANR1H2NR1H3KCNH2
SCHEMBL1006760 0.87 NAAA (0.47) HTR3ANR1H2NR1H3KCNH2TOP2A
SCHEMBL1008242 0.84 NR1H3 (0.49) HTR3ANR1H2NR1H3KCNH2TOP2A
SCHEMBL1008240 0.84 NR1H3 (0.49) HTR3ANR1H2NR1H3KCNH2TOP2A
SCHEMBL1005073 0.81 PARP1 (0.44) PARP1HTR3AKCNH2TOP2ANAAA
SCHEMBL1006503 0.80 NR1H3 (0.42) PARP1HTR3ANR1H2NR1H3KCNH2
Lithium Ion SCHEMBL1005750 0.77 MAP4K4 (0.49) PARP1HTR3ANR1H2NR1H3KCNH2
SCHEMBL1005752 0.77 NAAA (0.49) HTR3ANR1H2NR1H3KCNH2NAAA
SCHEMBL1003663 0.76 PARP1 (0.46) PARP1HTR3AKCNH2TOP2A

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 2 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
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 US 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 PARP1 1738/4885HTR3A 3/4885NR1H2 4529/4885

“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.