SCHEMBL2670552

SCHEMBL2670552

N#Cc1[c]ccc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.47
TOP2B Q02880 6/20 0.47
KDM4E B2RXH2 3/20 0.44
KCNH2 Q12809 7/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
GSK3B P49841 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL2670607 0.85 CYP3A4 (0.44) TOP2ATOP2BKDM4EKCNH2ALDH1A1
SCHEMBL2670640 0.81 TOP2A (0.50) TOP2ATOP2BKDM4EKCNH2ALDH1A1
SCHEMBL2670521 0.81 TOP2A (0.49) TOP2ATOP2BKDM4EKCNH2ALDH1A1
SCHEMBL2670980 0.81 TOP2A (0.51) TOP2ATOP2BKDM4EKCNH2ALDH1A1
SCHEMBL2670396 0.79 KCNH2 (0.52) TOP2ATOP2BKDM4EKCNH2ALDH1A1
SCHEMBL7998227 0.78 KDM4E (0.52) TOP2ATOP2BKDM4EKCNH2ALDH1A1
SCHEMBL2670762 0.76 KCNH2 (0.46) TOP2ATOP2BKDM4EKCNH2ALDH1A1
SCHEMBL8365398 0.74 KDM4E (0.54) TOP2ATOP2BKDM4EKCNH2ALDH1A1
SCHEMBL6659404 0.73 TOP2A (0.60) TOP2ATOP2BKDM4EKCNH2ALDH1A1
SCHEMBL30891255 0.73 TOP2A (0.60) TOP2ATOP2BKDM4EKCNH2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 US claimed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 US claimed
EP-2097400-A2 FUSED SUBSTITUTED AMINOPYRROLIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-09-09 EP claimed
WO-2008082009-A2 FUSED SUBSTITUTED AMINOPYRROLIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-07-10 WO claimed

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 TOP2A 89/4885TOP2B 149/4885KDM4E 1244/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 TOP2A 89/4885TOP2B 149/4885KDM4E 1244/4885

“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.