SCHEMBL3977809

SCHEMBL3977809

C[C@H](c1ccccc1)N1C[C@@](CO[Si](C)(C)C(C)(C)C)(C(=O)OC(C)(C)C)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
TOP2A P11388 1/20 0.34
MAPT P10636 1/20 0.33
CPB2 Q96IY4 2/20 0.33
BTN3A1 O00481 1/20 0.33
MAPK1 P28482 1/20 0.32
HSD11B1 P28845 5/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 1/20 0.32
METAP2 P50579 2/20 0.32

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
SCHEMBL2670075 0.90 KMT2A (0.36) KMT2ATOP2ABTN3A1MAPK1HSD11B1
SCHEMBL4181568 0.90 KMT2A (0.38) KMT2ATOP2AMAPTMAPK1HSD11B1
SCHEMBL2670332 0.89 KMT2A (0.35) KMT2ATOP2AMAPTBTN3A1MAPK1
SCHEMBL2670528 0.84 KMT2A (0.43) KMT2AMAPTMAPK1HSD11B1CYP3A4
SCHEMBL14319760 0.84 KMT2A (0.43) KMT2AMAPTCPB2MAPK1HSD11B1
SCHEMBL4749764 0.83 KMT2A (0.38) KMT2AMAPTMAPK1
SCHEMBL4748878 0.83 KMT2A (0.41) KMT2AMAPTCPB2MAPK1HSD11B1
SCHEMBL2670448 0.83 KMT2A (0.41) KMT2AMAPTMAPK1HSD11B1CYP3A4
SCHEMBL2670213 0.82 KMT2A (0.40) KMT2AMAPTMAPK1HSD11B1CYP3A4
SCHEMBL2670231 0.82 KMT2A (0.40) KMT2AMAPTMAPK1HSD11B1CYP3A4

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 8 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-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-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-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 KMT2A 2638/4885TOP2A 251/4885MAPT 4468/4885
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE AAAS, NPEPPS, TEAD4 KMT2A 3317/4885TOP2A 23/4885MAPT 2436/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 KMT2A 3178/4885TOP2A 43/4885MAPT 2807/4885

“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.