SCHEMBL2219963

SCHEMBL2219963

O=C1NCC2CCCC1N2S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FKBP5 Q13451 2/20 0.61
PSEN1 P49768 14/20 0.56
PSEN2 P49810 14/20 0.56
APH1B Q8WW43 14/20 0.56
NCSTN Q92542 14/20 0.56
APH1A Q96BI3 14/20 0.56
PSENEN Q9NZ42 14/20 0.56
ACHE P22303 1/20 0.52
FKBP1A P62942 1/20 0.52
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 0.44

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
SCHEMBL2218375 0.82 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2217801 0.82 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2221432 0.80 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL916558 0.79 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8251036 0.79 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8273948 0.78 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2220964 0.78 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15436062 0.77 FKBP5 (1.00) FKBP5PSEN1PSEN2APH1BNCSTN
SCHEMBL8259686 0.76 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13236906 0.75 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150183786-A1 BICYCLIC AZA-AMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS MAX-PLANCK-GESSELSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V. (DE) 2015-07-02 US claimed
EP-2877470-A1 BICYCLIC AZA-AMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-06-03 EP claimed
WO-2014015993-A1 BICYCLIC AZA-AMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-01-30 WO claimed
US-20110178119-A1 Bridged N-Bicyclic Sulfonamido Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. (US) 2011-07-21 US claimed
US-9371322-B2 Bicyclic aza-amides for treatment of psychiatric disorders MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-06-21 US disclosed
US-20150183786-A1 BICYCLIC AZA-AMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS MAX-PLANCK-GESSELSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V. (DE) 2015-07-02 US disclosed
EP-2877470-A1 BICYCLIC AZA-AMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-06-03 EP disclosed
WO-2014015993-A1 BICYCLIC AZA-AMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-01-30 WO disclosed
US-20110178119-A1 Bridged N-Bicyclic Sulfonamido Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. (US) 2011-07-21 US disclosed
EP-1915371-A2 BRIDGED N-BICYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE Elan Pharmaceuticals Inc. (US) 2008-04-30 EP disclosed
WO-2007024651-A2 BRIDGED N-BICYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2007-03-01 WO 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-20110178119-A1 Bridged N-Bicyclic Sulfonamido Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 FKBP5 2545/4885PSEN1 3/4885PSEN2 4/4885
US-20150183786-A1 BICYCLIC AZA-AMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS BDNF, MAOA, HDAC10 FKBP5 61/4885PSEN1 100/4885PSEN2 60/4885

“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.