SCHEMBL6802109

SCHEMBL6802109

COc1ccc(CCN2CCCC[C@@H](Cl)C2)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.68
SIGMAR1 Q99720 3/20 0.59
PTGIR P43119 1/20 0.51
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL4806896 0.96 HRH3 (0.66) HRH3SIGMAR1MAOAMAOBNPC1
SCHEMBL7355512 0.96 HRH3 (0.66) HRH3SIGMAR1MAOAMAOBNPC1
SCHEMBL4806889 0.96 HRH3 (0.66) HRH3SIGMAR1MAOAMAOBNPC1
SCHEMBL6798708 0.92 HRH3 (0.57) HRH3SIGMAR1PTGIRSLC6A2SLC6A4
SCHEMBL6801436 0.85 HRH3 (0.71) HRH3SIGMAR1SLC6A4
SCHEMBL9205104 0.84 HRH3 (0.65) HRH3SIGMAR1NPC1RAB9A
SCHEMBL6795832 0.83 L3MBTL1 (0.51) HRH3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL29356024 0.82 HRH3 (1.00) HRH3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL6796349 0.81 ALDH1A1 (0.54) HRH3SIGMAR1KDM4E
SCHEMBL11156977 0.81 HRH3 (0.96) HRH3SIGMAR1SLC6A2SLC6A4SLC6A3

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
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
EP-0404359-B1 Dibenzothiazepine derivatives useful as antispasmodic agents PFIZER LTD (GB) 1994-06-29 EP disclosed
US-5071844-A Antispasmodic agents PFIZER INC. (US) 1991-12-10 US disclosed
EP-0404359-A1 Dibenzothiazepine derivatives useful as antispasmodic agents Pfizer Limited (GB) 1990-12-27 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 250/4885SIGMAR1 566/4885PTGIR 364/4885

“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.