SCHEMBL2670232

SCHEMBL2670232

CC(=O)OC1C[C@@]2(C(=O)OC(C)(C)C)CN([C@H](C)c3ccccc3)C(=O)[C@@H]2CO1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
CHRM2 P08172 3/20 0.35
CHRM4 P08173 3/20 0.35
CHRM5 P08912 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD11B1 P28845 1/20 0.33
CPB2 Q96IY4 2/20 0.32
HTT P42858 1/20 0.32
CYP2D6 P10635 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 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
SCHEMBL2670247 0.83 KMT2A (0.40) KMT2AGAAMAPK1SMN1; SMN2HSD11B1
SCHEMBL2670443 0.82 KMT2A (0.38) KMT2AGAAMAPK1SMN1; SMN2HSD11B1
SCHEMBL2670449 0.82 KMT2A (0.38) KMT2AGAAMAPK1SMN1; SMN2HSD11B1
SCHEMBL2670504 0.81 KMT2A (0.41) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL4748823 0.81 KMT2A (0.41) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL2670503 0.81 KMT2A (0.41) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL4748051 0.80 KMT2A (0.40) KMT2AGAAMAPK1SMN1; SMN2HSD11B1
SCHEMBL2670516 0.80 KMT2A (0.40) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL2670514 0.80 KMT2A (0.40) KMT2ACHRM2CHRM4CHRM5CHRM1
SCHEMBL4749791 0.80 KMT2A (0.38) KMT2AGAAMAPK1SMN1; SMN2HSD11B1

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 9 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
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
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
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 2847/4885CHRM2 1771/4885CHRM4 2242/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 KMT2A 2847/4885CHRM2 1771/4885CHRM4 2242/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 KMT2A 2847/4885CHRM2 1771/4885CHRM4 2242/4885

“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.