SCHEMBL6801436

SCHEMBL6801436

COc1cccc(CCN2CCCC[C@@H](Cl)C2)c1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.71
SIGMAR1 Q99720 4/20 0.63
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
HTR1A P08908 1/20 0.54
SLC6A4 P31645 1/20 0.54

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
SCHEMBL7359002 0.96 HRH3 (0.69) HRH3SIGMAR1MEN1KMT2AHTR1A
SCHEMBL7359013 0.96 HRH3 (0.69) HRH3SIGMAR1MEN1KMT2AHTR1A
Hydrochloric Acid SCHEMBL9752578 0.95 HRH3 (0.67) HRH3SIGMAR1MEN1KMT2AHTR1A
SCHEMBL6802109 0.85 HRH3 (0.68) HRH3SIGMAR1SLC6A4
SCHEMBL10669091 0.84 HRH3 (1.00) HRH3SIGMAR1HTR1ASLC6A4
SCHEMBL17294993 0.83 HRH3 (0.97) HRH3SIGMAR1HTR1ASLC6A4
SCHEMBL8938430 0.81 HRH3 (0.69) HRH3SIGMAR1MEN1KMT2AHTR1A
SCHEMBL4806889 0.81 HRH3 (0.66) HRH3SIGMAR1MEN1KMT2A
SCHEMBL7355512 0.81 HRH3 (0.66) HRH3SIGMAR1MEN1KMT2A
SCHEMBL4806896 0.81 HRH3 (0.66) HRH3SIGMAR1MEN1KMT2A

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 250/4885SIGMAR1 566/4885MEN1 4438/4885

“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.