SCHEMBL6798859

SCHEMBL6798859

CN(C)c1ccc(CCN2CCCCC2CO)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.63
SPHK2 Q9NRA0 14/20 0.61
SPHK1 Q9NYA1 14/20 0.61
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
OPRD1 P41143 1/20 0.49

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
SCHEMBL6798847 1.00 HRH3 (0.63) HRH3SPHK2SPHK1KDM4EALDH1A1
SCHEMBL4809162 0.96 HRH3 (0.68) HRH3SPHK2SPHK1KDM4EALDH1A1
SCHEMBL4809169 0.96 HRH3 (0.68) HRH3SPHK2SPHK1KDM4EALDH1A1
SCHEMBL6797294 0.82 SPHK2 (0.62) HRH3SPHK2SPHK1
SCHEMBL6797298 0.82 SPHK2 (0.62) HRH3SPHK2SPHK1
SCHEMBL25685938 0.82 SPHK2 (0.61) HRH3SPHK2SPHK1
SCHEMBL7279837 0.81 SPHK2 (0.60) SPHK2SPHK1OPRD1
SCHEMBL29471350 0.81 SPHK2 (0.60) SPHK2SPHK1OPRD1
SCHEMBL9372352 0.81 HRH3 (0.63) HRH3SPHK2SPHK1
SCHEMBL6807045 0.81 HRH3 (0.63) HRH3SPHK2SPHK1

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 250/4885SPHK2 734/4885SPHK1 960/4885

“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.