SCHEMBL2964430

SCHEMBL2964430

CN1C2CCCC1CC(NC(=O)c1cccc3nc(-c4ccccc4)oc13)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 17/20 1.00
KCNH2 Q12809 3/20 0.56
CYP3A4 P08684 1/20 0.54
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
DHODH Q02127 1/20 0.51

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
SCHEMBL2950937 0.96 HTR3A (0.92) HTR3AKCNH2CYP3A4KDM4EALDH1A1
SCHEMBL2956646 0.92 HTR3A (1.00) HTR3AKCNH2CYP3A4KDM4EALDH1A1
SCHEMBL2965933 0.92 HTR3A (1.00) HTR3AKCNH2CYP3A4KDM4EALDH1A1
SCHEMBL2964403 0.90 HTR3A (1.00) HTR3AKCNH2CYP3A4KDM4EALDH1A1
SCHEMBL2953626 0.87 HTR3A (0.77) HTR3AKCNH2CYP3A4HTR3EHTR3B
SCHEMBL2957247 0.84 HTR3A (1.00) HTR3AKCNH2CYP3A4
SCHEMBL2965253 0.84 HTR3A (0.72) HTR3AKCNH2KDM4EALDH1A1DHODH
SCHEMBL4318169 0.83 HTR3A (0.71) HTR3AKCNH2CYP3A4KDM4EALDH1A1
SCHEMBL2957839 0.83 HTR3A (0.73) HTR3AKCNH2CYP3A4
Hydrochloric Acid SCHEMBL4306092 0.82 HTR3A (0.70) HTR3AKCNH2CYP3A4KDM4EALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307094-B2 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2007-12-11 US claimed
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2006-08-17 US claimed
US-7781430-B2 Benzoxazole carboxamides for treating CINV and IBS-D ALBANY MOLECULAR RESEARCH, INC. (US) 2010-08-24 US disclosed
US-7781430-B2 Benzoxazole carboxamides for treating CINV and IBS-D ALBANY MOLECULAR RESEARCH, INC. (US) 2010-08-24 US disclosed
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-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2008-05-08 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-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
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2006-08-17 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 3/4885KCNH2 1078/4885CYP3A4 755/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A HTR3A 3/4885KCNH2 1078/4885CYP3A4 755/4885

“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.