SCHEMBL2670352

SCHEMBL2670352

CCOC(=O)c1cn([C@@H]2C[C@@H]2F)c2c(C)c(N3C[C@H]4C(F)(F)CC[C@@]4(NC(=O)OC(C)(C)C)C3)c(F)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.38
ADRB2 P07550 1/20 0.36
STAT3 P40763 1/20 0.34
KDM4E B2RXH2 4/20 0.33
HPGD P15428 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 3/20 0.33
CYP2C19 P33261 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PRKD3 O94806 1/20 0.31
ALOX15 P16050 1/20 0.31
OPRM1 P35372 1/20 0.31
CLK2 P49760 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HDAC3 O15379 2/20 0.31

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
SCHEMBL2670302 0.92 KCNH2 (0.42) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL13945284 0.81 KCNH2 (0.38) KCNH2ADRB2STAT3KDM4EHPGD
SCHEMBL3390398 0.81 KCNH2 (0.38) KCNH2ADRB2STAT3KDM4EHPGD
SCHEMBL13341768 0.80 STAT3 (0.42) KCNH2ADRB2STAT3KDM4EHPGD
SCHEMBL14014256 0.80 STAT3 (0.42) KCNH2ADRB2STAT3KDM4EHPGD
SCHEMBL4748104 0.74 CYP3A4 (0.40) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL15726071 0.74 CYP3A4 (0.48) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL4750227 0.73 KCNH2 (0.50) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7511613 0.73 STAT3 (0.51) KCNH2ADRB2STAT3KDM4EHPGD
SCHEMBL13483643 0.73 STAT3 (0.51) KCNH2ADRB2STAT3KDM4EHPGD

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 10 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-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 KCNH2 193/4885ADRB2 2992/4885STAT3 2805/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 KCNH2 193/4885ADRB2 2992/4885STAT3 2805/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 KCNH2 193/4885ADRB2 2992/4885STAT3 2805/4885

“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.