SCHEMBL6802876

SCHEMBL6802876

COc1ccc(CCN2CC[C@H](OS(C)(=O)=O)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.55
HRH3 Q9Y5N1 4/20 0.52
KCNJ1 P48048 1/20 0.47
KCNH2 Q12809 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
HTR1A P08908 1/20 0.46
SLC6A4 P31645 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
SCHEMBL6796914 0.93 HRH3 (0.53) SIGMAR1HRH3KCNH2MMP1MMP9
SCHEMBL6796681 0.86 L3MBTL1 (0.49) HRH3KCNH2HTR1ASLC6A4
SCHEMBL4808979 0.84 HRH3 (0.45) SIGMAR1HRH3KCNH2MAOAMAOB
SCHEMBL4803982 0.83 HRH3 (0.47) HRH3
SCHEMBL6795794 0.79 SIGMAR1 (0.64) SIGMAR1HRH3MAOAMAOBHTR1A
SCHEMBL6795798 0.79 SIGMAR1 (0.64) SIGMAR1HRH3MAOAMAOBHTR1A
SCHEMBL6800161 0.79 SIGMAR1 (0.64) SIGMAR1HRH3MAOAMAOBHTR1A
SCHEMBL14279324 0.79 HRH3 (0.40) HRH3KCNH2
SCHEMBL6796403 0.78 ADRA1D (0.47) HRH3MMP1MMP13HTR1ASLC6A4
SCHEMBL14279321 0.77 HRH3 (0.47) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SIGMAR1 566/4885HRH3 250/4885KCNJ1 94/4885

“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.