SCHEMBL3976539

SCHEMBL3976539

Cc1c(F)ccc2c(=O)c(C(=O)O)cn(C3(F)CC3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.37
KDM4E B2RXH2 5/20 0.37
KMT2A Q03164 2/20 0.37
KCNH2 Q12809 2/20 0.37
MEN1 O00255 1/20 0.36
ABCC4 O15439 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
TOP2A P11388 6/20 0.36
TOP2B Q02880 6/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2081014 0.80 TOP2A (0.56) CHRM1KDM4EKMT2AKCNH2MEN1
SCHEMBL2082061 0.78 CYP3A4 (0.51) KDM4EKMT2AKCNH2LMNATOP2A
SCHEMBL27511886 0.78 CYP3A4 (0.51) KDM4EKMT2AKCNH2LMNATOP2A
SCHEMBL2082062 0.78 CYP3A4 (0.51) KDM4EKMT2AKCNH2LMNATOP2A
SCHEMBL4208120 0.77 TOP2A (0.53) CHRM1KDM4EKMT2AKCNH2MEN1
SCHEMBL9148710 0.76 LMNA (0.55) CHRM1KDM4EKMT2AMEN1ABCC4
SCHEMBL30417633 0.74 CHRM1 (0.50) CHRM1KDM4EKMT2ALMNATOP2A
SCHEMBL6662423 0.73 ALDH1A1 (0.43) KDM4EKMT2AMEN1LMNATOP2A
SCHEMBL7471382 0.72 TOP2A (0.44) KCNH2TOP2ATOP2BPOLB
SCHEMBL4677281 0.71 KCNH2 (0.49) CHRM1KDM4EKMT2AKCNH2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1882689-B1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-07-10 EP disclosed
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
EP-2463274-A1 Tri-or tetra-substituted-3-aminopyrrolidine deritatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-13 EP 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
EP-1882689-A1 TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2008-01-30 EP 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 (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-20060264428-A1 Tri-, tetra-substituted-3-aminopyrrolidine derivative QTRT1, RRS1, LAS1L CHRM1 677/4885KDM4E 2926/4885KMT2A 2638/4885
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE AAAS, NPEPPS, TEAD4 CHRM1 4751/4885KDM4E 3137/4885KMT2A 3317/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 CHRM1 4749/4885KDM4E 2911/4885KMT2A 3178/4885

“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.