SCHEMBL6802071

SCHEMBL6802071

COc1cccc(CCN2CCCC[C@@H]2CO)c1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.66
SIGMAR1 Q99720 2/20 0.56
SPHK2 Q9NRA0 5/20 0.54
SPHK1 Q9NYA1 4/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL6802079 1.00 HRH3 (0.66) HRH3SIGMAR1SPHK2SPHK1TDP1
SCHEMBL26024360 0.85 HRH3 (0.60) HRH3SIGMAR1TDP1
SCHEMBL5193849 0.85 HRH3 (0.60) HRH3SIGMAR1TDP1
SCHEMBL8938433 0.85 HRH3 (0.69) HRH3SIGMAR1TDP1
SCHEMBL6807049 0.85 HRH3 (0.63) HRH3SIGMAR1SPHK2SPHK1
SCHEMBL9372352 0.85 HRH3 (0.63) HRH3SIGMAR1SPHK2SPHK1
SCHEMBL6807045 0.85 HRH3 (0.63) HRH3SIGMAR1SPHK2SPHK1
SCHEMBL25685972 0.84 SPHK2 (0.56) HRH3SIGMAR1SPHK2SPHK1
SCHEMBL9752686 0.82 HRH3 (0.69) HRH3SIGMAR1
SCHEMBL8828205 0.81 MAPK1 (0.60) HRH3SIGMAR1SPHK2SPHK1

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 566/4885SPHK2 734/4885

“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.