SCHEMBL6796403

SCHEMBL6796403

CS(=O)(=O)O[C@H]1CCN(CCc2ccc3c(c2)OCO3)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.47
ADRA1A P35348 3/20 0.47
ADRA1B P35368 3/20 0.47
HTR1A P08908 1/20 0.43
SLC6A4 P31645 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
MCHR1 Q99705 3/20 0.42
MMP1 P03956 1/20 0.41
MMP7 P09237 1/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL2776390 0.84 SLC6A4 (0.54) ADRA1AHTR1ASLC6A4ALDH1A1HRH3
SCHEMBL6796681 0.79 L3MBTL1 (0.49) HTR1ASLC6A4HRH3
SCHEMBL6802893 0.78 HRH3 (0.50) ADRA1DADRA1AADRA1BTSHRHRH3
SCHEMBL2775632 0.78 HRH3 (0.39) HTR1ASLC6A4MCHR1HRH3
SCHEMBL6802876 0.78 SIGMAR1 (0.55) HTR1ASLC6A4MMP1MMP13HRH3
SCHEMBL28800482 0.77 ALDH1A1 (0.53) ADRA1DADRA1AADRA1BALDH1A1TSHR
SCHEMBL4808979 0.77 HRH3 (0.45) ADRA1AADRA1BALDH1A1HRH3
SCHEMBL5918372 0.76 ADRA1D (0.46) ADRA1DADRA1AADRA1BTSHRMMP1
SCHEMBL4803982 0.76 HRH3 (0.47) HRH3
SCHEMBL4809134 0.75 L3MBTL3 (0.51) HTR1AHRH3

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-7320973-B2 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same AJINOMOTO CO., INC. (JP) 2008-01-22 US disclosed
EP-1475373-A1 5,11-Dihydrodibenzo[b,e][1,4]-oxazepine derivatives as calcium channel antagonists Ajinomoto Co., Inc. (JP) 2004-11-10 EP disclosed
EP-1471060-A1 5,11-Dihydrodibenzo[b,e][1,4]-oxazepine derivatives as calcium channel antagonists Ajinomoto Co., Inc. (JP) 2004-10-27 EP disclosed
US-6528504-B2 Compounds such as (R)-5,11-dihydro-5-(1-(4-methoxyphenethyl)-piperidine-2-ylmethyl) -dibenzo(b,e)(1,4) oxazepine are useful for treating or preventing abnormal motor functions of gastrointestinal tracts, e.g., irritable bowel syndrome. AJINOMOTO CO., INC. (JP) 2003-03-04 US disclosed
US-20020099047-A1 Oxazepine derivatives and medicine containing the same AJINOMOTO CO., INC. (JP) 2002-07-25 US disclosed
EP-1142884-A1 OXAZEPINE DERIVATIVES AND DRUGS CONTAINING THE SAME Ajinomoto Co., Inc. (JP) 2001-10-10 EP 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-20020099047-A1 Oxazepine derivatives and medicine containing the same CACNG5, GRIK5, KCNB1 ADRA1D 260/4885ADRA1A 532/4885ADRA1B 196/4885

“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.