SCHEMBL3984286

SCHEMBL3984286

Cc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.F[B]F

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.62
TOP2B Q02880 7/20 0.62
KCNH2 Q12809 6/20 0.59
ALDH1A1 P00352 3/20 0.54
POLB P06746 2/20 0.54
OPRM1 P35372 2/20 0.54
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
OPRD1 P41143 1/20 0.54
KDM4E B2RXH2 2/20 0.50
PRKD3 O94806 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
CLK2 P49760 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GSK3B P49841 1/20 0.48

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
SCHEMBL3136282 0.96 TOP2A (0.66) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL2184237 0.93 TOP2A (0.62) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL5143359 0.88 ALDH1A1 (0.62) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL10625970 0.87 TOP2A (0.61) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL10330765 0.87 TOP2A (0.69) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL3982946 0.86 TOP2A (0.48) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9272261 0.86 TOP2A (0.54) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL3558935 0.85 KDM4E (0.62) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL29463823 0.85 TOP2A (0.71) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL500719 0.85 TOP2A (0.71) TOP2ATOP2BKCNH2ALDH1A1POLB

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 7 patents. 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-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-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-08 US disclosed
US-7563805-B2 7-[3-Amino-3,4-dimethylpyrrolidine-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-8-methyl-4-oxoquinoline-3-carboxylic acid: quinoline bactericide; broad spectrum, strong antibacterial activity for Grampositive/-negative including multiple resistant cocci; side effect reductcion; drug design DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-07-21 US disclosed
US-20090012119-A1 FLUOROALKYLPYRROLIDINE DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-01-08 US disclosed
US-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-23 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 (4 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 TOP2A 715/4885TOP2B 917/4885KCNH2 139/4885
US-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative QTRT1, RRS1, LAS1L TOP2A 251/4885TOP2B 601/4885KCNH2 1399/4885
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE AAAS, NPEPPS, TEAD4 TOP2A 23/4885TOP2B 69/4885KCNH2 2260/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 TOP2A 43/4885TOP2B 165/4885KCNH2 2584/4885

“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.