SCHEMBL4808979

SCHEMBL4808979

CN(C)c1ccc(CCN2CC[C@H](OS(C)(=O)=O)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.45
KDM4E B2RXH2 2/20 0.40
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA4 P22748 3/20 0.40
CA5A P35218 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA13 Q8N1Q1 3/20 0.40
CA14 Q9ULX7 3/20 0.40
ALDH1A1 P00352 2/20 0.39
OPRM1 P35372 2/20 0.38
KCNH2 Q12809 2/20 0.37
SLC22A1 O15245 1/20 0.37
NR1I2 O75469 1/20 0.37
ABCB1 P08183 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37

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
SCHEMBL6796681 0.85 L3MBTL1 (0.49) HRH3KCNH2
SCHEMBL6802876 0.84 SIGMAR1 (0.55) HRH3KCNH2MAOAMAOBSIGMAR1
SCHEMBL4803982 0.82 HRH3 (0.47) HRH3
SCHEMBL6802715 0.78 HRH3 (0.52) HRH3KDM4EALDH1A1OPRM1KCNH2
SCHEMBL6802717 0.78 HRH3 (0.52) HRH3KDM4EALDH1A1OPRM1KCNH2
SCHEMBL6807694 0.78 HRH3 (0.52) HRH3KDM4EALDH1A1OPRM1KCNH2
SCHEMBL14279324 0.78 HRH3 (0.40) HRH3KCNH2HTR2AHTR2C
SCHEMBL6796914 0.77 HRH3 (0.53) HRH3ALDH1A1OPRM1KCNH2DRD2
SCHEMBL6796403 0.77 ADRA1D (0.47) HRH3ALDH1A1ADRA1AADRA1B
SCHEMBL14279321 0.76 HRH3 (0.47) HRH3CHRM1DRD2CHRM3DRD4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320973-B2 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same AJINOMOTO CO., INC. (JP) 2008-01-22 US disclosed
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-20040110742-A1 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same AJINOMOTO CO., INC. (JP) 2004-06-10 US disclosed
EP-1403258-A1 DIHYDRODIARYLOXAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE DERIVATIVE Ajinomoto Co., Inc. (JP) 2004-03-31 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 (2 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-20040110742-A1 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same CYP3A4, PPARD, CYP4B1 HRH3 518/4885KDM4E 924/4885CA12 4472/4885
US-20020099047-A1 Oxazepine derivatives and medicine containing the same CACNG5, GRIK5, KCNB1 HRH3 250/4885KDM4E 230/4885CA12 4435/4885

“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.