SCHEMBL2670088

SCHEMBL2670088

CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1COCC2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
BTK Q06187 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
CCR2 P41597 1/20 0.34
HCRTR2 O43614 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX1 P07099 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CTSK P43235 2/20 0.32

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
SCHEMBL14432062 0.85 PSEN1 (0.41) GAABTKPSEN1PSEN2APH1B
SCHEMBL18477541 0.83 PSEN1 (0.42) GAABTKPSEN1PSEN2APH1B
SCHEMBL4749647 0.79 GAA (0.39) GAAHCRTR2MEN1MAPK1KMT2A
SCHEMBL2670321 0.79 GAA (0.39) GAAHCRTR2MEN1MAPK1KMT2A
SCHEMBL2670229 0.74 PSEN1 (0.36) GAABTKPSEN1PSEN2APH1B
SCHEMBL2670185 0.74 PSEN1 (0.36) GAABTKPSEN1PSEN2APH1B
SCHEMBL4748058 0.74 PSEN1 (0.36) GAABTKPSEN1PSEN2APH1B
SCHEMBL2670347 0.73 MEN1 (0.38) GAABTKPSEN1PSEN2APH1B
SCHEMBL2670354 0.73 PSEN1 (0.36) GAABTKPSEN1PSEN2APH1B
SCHEMBL6507225 0.72 GAA (0.40) GAABTKPSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 US disclosed
US-8618094-B2 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-12-31 US disclosed
EP-2097400-B1 FUSED SUBSTITUTED AMINOPYRROLIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-07-03 EP disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 US disclosed
EP-2540715-A1 Fused substituted aminopyrrolidine derivative Daiichi Sankyo Company, Limited (JP) 2013-01-02 EP disclosed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 US 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 (3 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-20120108582-A1 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 GAA 3747/4885BTK 1624/4885PSEN1 3923/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 GAA 3747/4885BTK 1624/4885PSEN1 3923/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 GAA 3747/4885BTK 1624/4885PSEN1 3923/4885

“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.