SCHEMBL6798708

SCHEMBL6798708

COc1ccc(CCCN2CCCC[C@@H](Cl)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.57
SIGMAR1 Q99720 4/20 0.53
DRD2 P14416 1/20 0.51
OPRM1 P35372 1/20 0.49
PTGIR P43119 1/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNA3 P22001 1/20 0.47

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
SCHEMBL6802109 0.92 HRH3 (0.68) HRH3SIGMAR1PTGIRSLC6A2SLC6A4
SCHEMBL7355512 0.88 HRH3 (0.66) HRH3SIGMAR1
SCHEMBL4806896 0.88 HRH3 (0.66) HRH3SIGMAR1
SCHEMBL4806889 0.88 HRH3 (0.66) HRH3SIGMAR1
SCHEMBL20683755 0.85 HRH3 (0.57) HRH3SIGMAR1DRD2OPRM1SLC6A2
SCHEMBL8111284 0.83 HRH3 (0.81) HRH3SIGMAR1DRD2SLC6A2SLC6A4
SCHEMBL20683714 0.82 HRH3 (0.78) HRH3SIGMAR1DRD2SLC6A2SLC6A4
SCHEMBL20683798 0.81 HRH3 (0.55) HRH3SIGMAR1DRD2OPRM1SLC6A2
SCHEMBL20683715 0.81 HRH3 (0.55) HRH3SIGMAR1DRD2OPRM1SLC6A2
SCHEMBL20683799 0.81 HRH3 (0.55) HRH3SIGMAR1DRD2OPRM1SLC6A2

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 250/4885SIGMAR1 566/4885DRD2 183/4885

“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.