SCHEMBL2963805

SCHEMBL2963805

CC(C)(C)OC(=O)N1CCC(NC(=O)c2cccc3oc(-c4ccccc4)nc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.61
PARP1 P09874 3/20 0.54
USP30 Q70CQ3 3/20 0.52
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49
HDAC4 P56524 1/20 0.48
TOP2A P11388 1/20 0.48
KCNH2 Q12809 2/20 0.47
CYP3A4 P08684 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL2961234 0.88 USP30 (0.49) HTR3APARP1USP30POLBLMNA
SCHEMBL2963015 0.85 HTR3A (0.61) HTR3APARP1USP30POLBLMNA
SCHEMBL2963599 0.85 HTR3A (0.72) HTR3ATOP2AKCNH2CYP3A4
SCHEMBL1121489 0.79 PARP1 (0.48) PARP1KDM4EPKMMAPT
SCHEMBL2964421 0.78 HTR3A (0.66) HTR3APARP1TOP2AKCNH2CYP3A4
SCHEMBL23360639 0.78 PARP1 (0.59) PARP1USP30POLBLMNATHRB
SCHEMBL29933507 0.78 PARP1 (0.59) PARP1USP30POLBLMNATHRB
SCHEMBL2956867 0.77 HTR3A (0.92) HTR3AKCNH2CYP3A4
SCHEMBL13906740 0.77 POLB (0.58) PARP1USP30POLBLMNATHRB
SCHEMBL22083658 0.77 USP30 (0.56) PARP1USP30POLBLMNATHRB

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-7781430-B2 Benzoxazole carboxamides for treating CINV and IBS-D ALBANY MOLECULAR RESEARCH, INC. (US) 2010-08-24 US disclosed
US-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2008-05-08 US disclosed
US-7307094-B2 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2007-12-11 US disclosed
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2006-08-17 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 (2 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-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D HTR3E, BRS3, HTR3A HTR3A 3/4885PARP1 1283/4885USP30 4262/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A HTR3A 3/4885PARP1 1283/4885USP30 4262/4885

“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.