SCHEMBL4749635

SCHEMBL4749635

C[C@H](c1ccccc1)N1C[C@]2(NC(=O)OC(C)(C)C)CCOC[C@@H]2C1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
HSD11B1 P28845 3/20 0.35
GAA P10253 2/20 0.35
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
EPHX2 P34913 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 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
SCHEMBL4749706 1.00 KMT2A (0.36) KMT2AHSD11B1GAADPP8DPP9
SCHEMBL2670461 0.90 KMT2A (0.38) KMT2AHSD11B1GAADPP8DPP9
SCHEMBL4749643 0.90 DPP8 (0.35) KMT2AHSD11B1DPP8DPP9LMNA
SCHEMBL4748059 0.85 KMT2A (0.38) KMT2AHSD11B1GAADPP8DPP9
SCHEMBL2671091 0.85 KMT2A (0.38) KMT2AHSD11B1GAADPP8DPP9
SCHEMBL2671082 0.85 KMT2A (0.38) KMT2AHSD11B1GAADPP8DPP9
SCHEMBL2670449 0.82 KMT2A (0.38) KMT2AHSD11B1GAAHTTLMNA
SCHEMBL4749646 0.80 UTS2R (0.34) KMT2ADPP8DPP9EPHX2ATM
SCHEMBL4749729 0.80 UTS2R (0.34) KMT2ADPP8DPP9EPHX2ATM
SCHEMBL2671398 0.77 KMT2A (0.36) KMT2AHSD11B1DPP8DPP9LMNA

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
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 US disclosed
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 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
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 KMT2A 2847/4885HSD11B1 3535/4885GAA 3747/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 KMT2A 2847/4885HSD11B1 3535/4885GAA 3747/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 KMT2A 2847/4885HSD11B1 3535/4885GAA 3747/4885

“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.