SCHEMBL6802717

SCHEMBL6802717

CN(C)c1ccc(CCN2CCC(O)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.52
SPHK1 Q9NYA1 1/20 0.52
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LTA4H P09960 1/20 0.44
HTT P42858 1/20 0.43
HRH1 P35367 2/20 0.42
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
SLC22A1 O15245 1/20 0.42
NR1I2 O75469 1/20 0.42
ABCB1 P08183 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
MAOA P21397 1/20 0.42
DRD4 P21917 1/20 0.42

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
SCHEMBL6802715 1.00 HRH3 (0.52) HRH3SPHK1KDM4EALDH1A1LTA4H
SCHEMBL6807694 1.00 HRH3 (0.52) HRH3SPHK1KDM4EALDH1A1LTA4H
SCHEMBL14306438 0.84 HRH3 (0.58) HRH3KDM4EALDH1A1OPRM1OPRD1
SCHEMBL23105175 0.80 HRH3 (0.71) HRH3SPHK1KDM4EALDH1A1SIGMAR1
SCHEMBL6799712 0.80 L3MBTL1 (0.55) HRH3SPHK1LTA4HOPRM1OPRD1
SCHEMBL6799707 0.80 L3MBTL1 (0.55) HRH3SPHK1LTA4HOPRM1OPRD1
SCHEMBL6423692 0.80 ACHE (0.60) KDM4EALDH1A1LTA4HSLC6A3SIGMAR1
SCHEMBL5534146 0.80 ACHE (0.60) KDM4EALDH1A1LTA4HSLC6A3SIGMAR1
SCHEMBL5537485 0.80 ACHE (0.60) KDM4EALDH1A1LTA4HSLC6A3SIGMAR1
SCHEMBL6795798 0.79 SIGMAR1 (0.64) HRH3SPHK1LTA4HMAOAMAOB

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 250/4885SPHK1 960/4885KDM4E 230/4885

“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.