SCHEMBL4802663

SCHEMBL4802663

CC(C)(C)OC(=O)N[C@]12CNC[C@H]1C1(CC1)C2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
EPHX2 P34913 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL2670340 0.81 MEN1 (0.33) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL2670204 0.80 MEN1 (0.35) MEN1MAPK1KMT2AGAA
SCHEMBL7517321 0.78 PSEN1 (0.35) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL25201032 0.78 MEN1 (0.39) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL30325623 0.78 MEN1 (0.39) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL21335536 0.78 MEN1 (0.39) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL2301080 0.78 MEN1 (0.39) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL26607392 0.78 MEN1 (0.39) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL2670185 0.76 PSEN1 (0.36) MEN1MAPK1KMT2AGAAEPHX2
SCHEMBL2670229 0.76 PSEN1 (0.36) MEN1MAPK1KMT2AGAAEPHX2

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 2 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-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 (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-20120108582-A1 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 MEN1 3591/4885MAPK1 2614/4885KMT2A 2847/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 MEN1 3591/4885MAPK1 2614/4885KMT2A 2847/4885

“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.