SCHEMBL6795832

SCHEMBL6795832

Clc1ccc(CCN2CCCC[C@@H](Cl)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
MBTD1 Q05BQ5 1/20 0.51
L3MBTL3 Q96JM7 1/20 0.51
SIGMAR1 Q99720 6/20 0.51
HRH3 Q9Y5N1 5/20 0.50
SLC6A2 P23975 2/20 0.50
HRH1 P35367 2/20 0.50
SLC6A3 Q01959 2/20 0.50
CHRM2 P08172 1/20 0.50
ADRA2C P18825 1/20 0.50
SLC6A4 P31645 1/20 0.50
KCNH2 Q12809 1/20 0.50
CACNA1C Q13936 1/20 0.50
SCN5A Q14524 1/20 0.50
CHRM4 P08173 1/20 0.49
HTR2C P28335 1/20 0.49
HTR7 P34969 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 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
SCHEMBL8879791 0.95 L3MBTL1 (0.50) L3MBTL1MBTD1L3MBTL3SIGMAR1HRH3
SCHEMBL6796349 0.83 ALDH1A1 (0.54) L3MBTL1MBTD1L3MBTL3SIGMAR1HRH3
SCHEMBL6802109 0.83 HRH3 (0.68) SIGMAR1HRH3SLC6A2SLC6A3SLC6A4
SCHEMBL4814066 0.82 L3MBTL3 (0.58) L3MBTL1MBTD1L3MBTL3SIGMAR1HRH3
SCHEMBL4814084 0.82 L3MBTL3 (0.58) L3MBTL1MBTD1L3MBTL3SIGMAR1HRH3
SCHEMBL7354346 0.82 HTR2A (0.51) L3MBTL1MBTD1L3MBTL3SLC6A2SLC6A3
SCHEMBL7354339 0.82 HTR2A (0.51) L3MBTL1MBTD1L3MBTL3SLC6A2SLC6A3
SCHEMBL7348929 0.81 SLC6A3 (0.61) SIGMAR1SLC6A3
SCHEMBL7355606 0.81 SLC6A3 (0.61) SIGMAR1SLC6A3
SCHEMBL7348925 0.81 SLC6A3 (0.61) SIGMAR1SLC6A3

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 L3MBTL1 3372/4885MBTD1 783/4885L3MBTL3 4041/4885

“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.