SCHEMBL6802893

SCHEMBL6802893

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.50
ADRA1D P25100 3/20 0.48
ADRA1A P35348 3/20 0.48
ADRA1B P35368 3/20 0.48
SLC18A3 Q16572 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
CALM1 P0DP23 1/20 0.46
TSHR P16473 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4391727 0.92 ALDH1A1 (0.49) ADRA1DADRA1AADRA1BSLC18A3TAAR1
SCHEMBL8231916 0.86 SLC18A3 (0.60) SLC18A3TSHRKDM4EMEN1KMT2A
SCHEMBL19043430 0.84 GAA (0.45) HRH3TAAR1KDM4EKMT2A
SCHEMBL13493065 0.84 GAA (0.45) HRH3TAAR1KDM4EKMT2A
SCHEMBL13108574 0.84 GAA (0.45) HRH3TAAR1KDM4EKMT2A
SCHEMBL13957316 0.82 LTA4H (0.47) HRH3SLC18A3KDM4EKMT2A
SCHEMBL5918372 0.82 ADRA1D (0.46) ADRA1DADRA1AADRA1BSLC18A3TAAR1
SCHEMBL5918375 0.82 ADRA1D (0.46) HRH3ADRA1DADRA1AADRA1BSLC18A3
SCHEMBL6265377 0.81 HTR1A (0.52) ADRA1DADRA1AADRA1BTAAR1CALM1
SCHEMBL20689718 0.81 ADRA1D (0.65) ADRA1DADRA1AADRA1BTAAR1CALM1

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 HRH3 250/4885ADRA1D 260/4885ADRA1A 532/4885

“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.