SCHEMBL6795798

SCHEMBL6795798

COc1ccc(CCN2CCC(O)C2)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.64
HRH3 Q9Y5N1 3/20 0.60
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
LTA4H P09960 1/20 0.53
SPHK1 Q9NYA1 1/20 0.52
HTR1A P08908 1/20 0.52
SLC6A4 P31645 1/20 0.52
SMPD1 P17405 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
SCHEMBL6800161 1.00 SIGMAR1 (0.64) SIGMAR1HRH3MAOAMAOBLTA4H
SCHEMBL6795794 1.00 SIGMAR1 (0.64) SIGMAR1HRH3MAOAMAOBLTA4H
SCHEMBL8938233 0.92 HRH3 (0.66) SIGMAR1HRH3MAOAMAOB
SCHEMBL6796838 0.92 SIGMAR1 (0.57) SIGMAR1HRH3LTA4HSPHK1
SCHEMBL6796835 0.92 SIGMAR1 (0.57) SIGMAR1HRH3LTA4HSPHK1
SCHEMBL22488321 0.85 ALDH1A1 (0.57) SIGMAR1
SCHEMBL22488317 0.85 ALDH1A1 (0.57) SIGMAR1
SCHEMBL13650590 0.85 ALDH1A1 (0.57) SIGMAR1
SCHEMBL6799712 0.80 L3MBTL1 (0.55) HRH3MAOBLTA4HSPHK1
SCHEMBL6799707 0.80 L3MBTL1 (0.55) HRH3MAOBLTA4HSPHK1

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 250/4885MAOA 1052/4885

“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.