SCHEMBL1005328

SCHEMBL1005328

CC(C)(C)OC(=O)N1CCN(c2nc3c(C(=O)O)cccc3o2)C2(CCCC2)C1.[LiH]

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
SCD5 Q86SK9 1/20 0.37
HTR3A P46098 2/20 0.36
POLB P06746 1/20 0.36
CYP11B2 P19099 1/20 0.36
SPR P35270 1/20 0.36
USP30 Q70CQ3 3/20 0.35
KCNH2 Q12809 1/20 0.35
BACE1 P56817 2/20 0.34
CKS1B P61024 2/20 0.34
SKP1 P63208 2/20 0.34
SKP2 Q13309 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MMP13 P45452 1/20 0.34
GPR119 Q8TDV5 1/20 0.34

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 SCHEMBL1005326 0.91 PARP1 (0.38) PARP1SCD5HTR3APOLBCYP11B2
SCHEMBL1005926 0.90 TOP2A (0.39) PARP1SCD5HTR3APOLBCYP11B2
SCHEMBL1005163 0.88 GPR119 (0.43) PARP1SCD5HTR3APOLBCYP11B2
SCHEMBL1004307 0.81 HCAR2 (0.47) PARP1POLBBACE1CKS1BSKP1
SCHEMBL1006831 0.81 HTR3A (0.62) HTR3AKCNH2
Lithium Ion SCHEMBL1005161 0.79 GPR119 (0.43) PARP1SCD5HTR3APOLBCYP11B2
SCHEMBL1005912 0.78 TOP2A (0.40) PARP1HTR3APOLBCYP11B2KCNH2
SCHEMBL1004366 0.77 ABCB1 (0.44) PARP1HTR3AGPR119
SCHEMBL1003480 0.77 ABCB1 (0.44) PARP1HTR3AGPR119
SCHEMBL1005641 0.77 HTR3A (0.45) PARP1HTR3APOLBUSP30MEN1

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 PARP1 1738/4885SCD5 1584/4885HTR3A 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.