SCHEMBL2670581

SCHEMBL2670581

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.37
KMT2A Q03164 1/20 0.35
CTSK P43235 3/20 0.35
CTSS P25774 1/20 0.35
MAPK1 P28482 1/20 0.34
OPRL1 P41146 1/20 0.34
UTS2R Q9UKP6 2/20 0.34
MAPT P10636 1/20 0.33
IDO1 P14902 1/20 0.33
PPIA P62937 1/20 0.33

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
SCHEMBL2670442 0.89 MAPK1 (0.35) METAP2KMT2ACTSKCTSSMAPK1
SCHEMBL2670186 0.79 CTSK (0.36) CTSKCTSSOPRL1UTS2R
SCHEMBL2670370 0.77 KMT2A (0.37) METAP2KMT2ACTSKCTSSMAPK1
SCHEMBL4772735 0.76 KMT2A (0.39) METAP2KMT2ACTSKCTSSMAPK1
SCHEMBL2670414 0.76 KMT2A (0.38) METAP2KMT2ACTSKCTSSMAPK1
SCHEMBL3974974 0.75 KMT2A (0.38) METAP2KMT2ACTSKCTSSUTS2R
SCHEMBL10306130 0.75 KMT2A (0.41) METAP2KMT2ACTSKCTSSMAPK1
SCHEMBL2670411 0.75 KMT2A (0.36) METAP2KMT2ACTSKCTSSMAPK1
SCHEMBL2670403 0.75 OPRL1 (0.39) METAP2KMT2AMAPK1OPRL1MAPT
SCHEMBL2670782 0.74 KMT2A (0.37) METAP2KMT2ACTSKCTSSMAPK1

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
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
WO-2008082009-A2 FUSED SUBSTITUTED AMINOPYRROLIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-07-10 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 (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 METAP2 3650/4885KMT2A 2847/4885CTSK 4157/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 METAP2 3650/4885KMT2A 2847/4885CTSK 4157/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 METAP2 3650/4885KMT2A 2847/4885CTSK 4157/4885

“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.