SCHEMBL2963015

SCHEMBL2963015

CC(C)(C)OC(=O)N1CCC(NC(=O)c2cccc3nc(-c4ccccc4)oc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.61
USP30 Q70CQ3 3/20 0.52
PARP1 P09874 3/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HDAC4 P56524 1/20 0.48
DHODH Q02127 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL2963805 0.85 HTR3A (0.61) HTR3AUSP30PARP1POLBLMNA
SCHEMBL2965253 0.85 HTR3A (0.72) HTR3AKDM4EALDH1A1DHODHHPGD
SCHEMBL2961234 0.79 USP30 (0.49) HTR3AUSP30PARP1POLBLMNA
SCHEMBL2950935 0.78 HTR3A (0.66) HTR3APARP1LMNAKDM4EALDH1A1
SCHEMBL2950937 0.77 HTR3A (0.92) HTR3AKDM4EALDH1A1DHODH
SCHEMBL13906740 0.77 POLB (0.58) USP30PARP1POLBLMNATHRB
SCHEMBL22083658 0.77 USP30 (0.56) USP30PARP1POLBLMNATHRB
SCHEMBL2964430 0.76 HTR3A (1.00) HTR3AKDM4EALDH1A1DHODH
SCHEMBL4960694 0.75 POLB (0.58) USP30PARP1POLBLMNATHRB
SCHEMBL3963418 0.75 POLB (0.58) USP30PARP1POLBLMNATHRB

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 6 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
EP-1853597-A1 BENZOXAZOLE CARBOXAMIDES FOR TREATING CINV AND IBS-D AMR Technology, Inc. (US) 2007-11-14 EP disclosed
WO-2006089100-A1 BENZOXAZOLE CARBOXAMIDES FOR TREATING CINV AND IBS-D AMR TECHNOLOGY, INC. (US) 2006-08-24 WO 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 3/4885USP30 4262/4885PARP1 1283/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A HTR3A 3/4885USP30 4262/4885PARP1 1283/4885

“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.