SCHEMBL6801075

SCHEMBL6801075

Cl[C@@H]1CCCCN(CCc2ccc3c(c2)OCO3)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.50
ALDH1A1 P00352 2/20 0.48
SIGMAR1 Q99720 3/20 0.48
MCHR1 Q99705 2/20 0.47
TRPV1 Q8NER1 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 2/20 0.46
SLC18A3 Q16572 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL4812050 0.96 MCHR1 (0.50) DPP7ALDH1A1MCHR1ADRA1DADRA1A
SCHEMBL9670197 0.89 KMT2A (0.50) SIGMAR1MCHR1ADRA1AKMT2A
SCHEMBL11698547 0.84 DPP7 (0.67) DPP7ALDH1A1SIGMAR1TRPV1ADRA1D
SCHEMBL11261146 0.82 DPP7 (0.65) DPP7ALDH1A1SIGMAR1TRPV1ADRA1D
SCHEMBL5918375 0.81 ADRA1D (0.46) DPP7SIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL4391727 0.81 ALDH1A1 (0.49) DPP7ALDH1A1MCHR1ADRA1DADRA1A
SCHEMBL28800490 0.81 ALDH1A1 (0.47) DPP7ALDH1A1MCHR1ADRA1DADRA1A
SCHEMBL6270367 0.79 ALDH1A1 (0.47) DPP7ALDH1A1MCHR1ADRA1DADRA1A
SCHEMBL5918372 0.79 ADRA1D (0.46) DPP7SIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL6802893 0.78 HRH3 (0.50) ADRA1DADRA1AADRA1BMEN1KMT2A

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 DPP7 1217/4885ALDH1A1 695/4885SIGMAR1 566/4885

“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.