SCHEMBL2670591

SCHEMBL2670591

N#Cc1c(N2C[C@@H]3CCCC[C@@]3(N)C2)c(F)cc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.41
OPRM1 P35372 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
OPRD1 P41143 1/20 0.41
KCNH2 Q12809 6/20 0.40
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
TOP2A P11388 4/20 0.37
TOP2B Q02880 2/20 0.37
AADAT Q8N5Z0 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36

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
SCHEMBL2670137 0.91 CYP3A4 (0.47) CYP3A4POLBALDH1A1OPRM1CHRM2
SCHEMBL14343329 0.89 KCNH2 (0.51) CYP3A4POLBALDH1A1OPRM1CHRM2
SCHEMBL15726080 0.89 KCNH2 (0.51) CYP3A4POLBALDH1A1OPRM1CHRM2
SCHEMBL3549148 0.88 CYP3A4 (0.58) CYP3A4POLBALDH1A1OPRM1CHRM2
SCHEMBL13341765 0.88 CYP3A4 (0.58) CYP3A4POLBALDH1A1OPRM1CHRM2
SCHEMBL3549144 0.88 CYP3A4 (0.58) CYP3A4POLBALDH1A1OPRM1CHRM2
SCHEMBL2670401 0.88 CYP3A4 (0.43) CYP3A4POLBALDH1A1OPRM1CHRM2
SCHEMBL2670421 0.88 CYP3A4 (0.44) CYP3A4POLBALDH1A1OPRM1CHRM2
SCHEMBL14405593 0.86 CYP3A4 (0.60) CYP3A4POLBALDH1A1OPRM1KCNH2
SCHEMBL2670592 0.86 CYP3A4 (0.60) CYP3A4POLBALDH1A1OPRM1KCNH2

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 14 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
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
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
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 CYP3A4 153/4885POLB 173/4885ALDH1A1 2730/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 CYP3A4 153/4885POLB 173/4885ALDH1A1 2730/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 CYP3A4 153/4885POLB 173/4885ALDH1A1 2730/4885

“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.