SCHEMBL6802392

SCHEMBL6802392

CN(C)c1cccc(CCOS(C)(=O)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR1 P21554 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 2/20 0.39
GAA P10253 1/20 0.39
NR3C1 P04150 1/20 0.38
TSHR P16473 2/20 0.37
HTR6 P50406 1/20 0.36
NOS1 P29475 2/20 0.36
APP P05067 1/20 0.36
CA12 O43570 1/20 0.35
CA4 P22748 1/20 0.35
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL6960483 0.80 CNR2 (0.43) CNR1CA1CA2CA9ALDH1A1
SCHEMBL2075495 0.80 ALDH1A1 (0.45) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL4851635 0.79 TAAR1 (0.50) CA1CA2CA9ALDH1A1NR3C1
SCHEMBL15042385 0.79 CA2 (0.43) CNR1CA1CA2CA9ALDH1A1
SCHEMBL1246000 0.78 CYP4F2 (0.47) CA1CA2CA9ALDH1A1ALOX15
SCHEMBL16666444 0.78 CA1 (0.42) CA1CA2CA9ALDH1A1ALOX15
SCHEMBL2284428 0.78 TAAR1 (0.49) CA1CA2CA9
SCHEMBL858115 0.78 TAAR1 (0.49) KMT2AL3MBTL1CA1CA2CA9
SCHEMBL2878336 0.78 TAAR1 (0.49) CA1CA2CA9NR3C1
SCHEMBL2881422 0.78 IDO1 (0.43) CA1CA2CA9ALDH1A1ALOX15

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 KMT2A 755/4885L3MBTL1 3372/4885CNR1 382/4885

“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.