SCHEMBL2184241

SCHEMBL2184241

Cc1c(F)c(F)cc2c(=O)c(C(=O)OB(F)F)cn(C3CC3)c12

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.51
TOP2A P11388 6/20 0.49
TOP2B Q02880 6/20 0.49
KCNH2 Q12809 5/20 0.47
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
OPRM1 P35372 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
OPRD1 P41143 1/20 0.45
KDM4E B2RXH2 2/20 0.42
PRKD3 O94806 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CLK2 P49760 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GSK3B P49841 1/20 0.41

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
SCHEMBL14387589 0.88 TOP2A (0.52) ADRB2TOP2ATOP2BKCNH2ALDH1A1
SCHEMBL3129389 0.87 KDM4E (0.51) ADRB2TOP2ATOP2BKCNH2ALDH1A1
SCHEMBL13945282 0.87 ADRB2 (0.40) ADRB2TOP2ATOP2BKCNH2ALDH1A1
SCHEMBL2182116 0.87 ADRB2 (0.40) ADRB2TOP2ATOP2BKCNH2ALDH1A1
SCHEMBL143605 0.86 ADRB2 (0.64) ADRB2TOP2ATOP2BKCNH2ALDH1A1
SCHEMBL13945289 0.86 ADRB2 (0.43) ADRB2TOP2ATOP2BKCNH2ALDH1A1
SCHEMBL27629820 0.85 ALDH1A1 (0.46) ADRB2TOP2ATOP2BKCNH2ALDH1A1
SCHEMBL3136282 0.84 TOP2A (0.66) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL13315606 0.83 KCNH2 (0.48) ADRB2TOP2ATOP2BKCNH2ALDH1A1
SCHEMBL3137596 0.83 ADRB2 (0.44) ADRB2TOP2ATOP2BKCNH2ALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476429-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-8476429-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-8455482-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-04 US disclosed
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-09-13 US disclosed
US-8211910-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-7977327-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-12 US disclosed
US-20110166131-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-07-07 US disclosed
WO-2010056633-A2 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2010-05-20 WO disclosed
WO-2010056633-A2 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2010-05-20 WO disclosed
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-08 US disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US disclosed
US-20090012119-A1 FLUOROALKYLPYRROLIDINE DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-01-08 US disclosed
WO-2008038122-A2 PROCESSES FOR THE PREPARATION OF 7-SUBSTITUTED 3,3-DIMETHYL-4-AMINO-PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES WOCKHARDT RESEARCH CENTRE (IN) 2008-04-03 WO disclosed
US-20080045520-A1 Substituted Pyrrolidine Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-02-21 US disclosed
EP-1757598-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP disclosed
WO-2005049602-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed
US-20050096297-A1 Antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-05 US disclosed
WO-2005026146-A1 AZETIDINYL QUINOLONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 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 (7 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-20090012119-A1 FLUOROALKYLPYRROLIDINE DERIVATIVE FPR1, VIP, Q6ZSR9 ADRB2 1863/4885TOP2A 715/4885TOP2B 917/4885
US-20050096297-A1 Antibacterial agents MRPL21, RPN2, FBL ADRB2 4022/4885TOP2A 14/4885TOP2B 23/4885
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE AAAS, NPEPPS, TEAD4 ADRB2 3111/4885TOP2A 23/4885TOP2B 69/4885
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES NQO2, QRFPR, NQO1 ADRB2 616/4885TOP2A 389/4885TOP2B 359/4885
US-20110166131-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE AQP1, GLUL, GATD3 ADRB2 3505/4885TOP2A 23/4885TOP2B 62/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 ADRB2 3348/4885TOP2A 43/4885TOP2B 165/4885
US-20080045520-A1 Substituted Pyrrolidine Derivative QPCT, GMPS, QPCTL ADRB2 3852/4885TOP2A 68/4885TOP2B 113/4885

“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.