SCHEMBL4874596

SCHEMBL4874596

CC(N)C(C)CCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.65
GABRD O14764 2/20 0.65
GABRA1 P14867 2/20 0.65
GABRB1 P18505 2/20 0.65
GABRG2 P18507 2/20 0.65
GABRB3 P28472 2/20 0.65
GABRA5 P31644 2/20 0.65
GABRA3 P34903 2/20 0.65
GABRA2 P47869 2/20 0.65
GABRB2 P47870 2/20 0.65
GABRA4 P48169 2/20 0.65
GABRE P78334 2/20 0.65
GABRA6 Q16445 2/20 0.65
GABRG1 Q8N1C3 2/20 0.65
GABRG3 Q99928 2/20 0.65
GABRQ Q9UN88 2/20 0.65
CYP1A2 P05177 2/20 0.52
GRM8 O00222 1/20 0.52
GRM6 O15303 1/20 0.52
GRIN2D O15399 1/20 0.52

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
SCHEMBL28475312 0.86 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28226187 0.85 GABRP (0.65) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28482072 0.84 ALDH1A1 (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14360718 0.84 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4716019 0.81 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
Chloromethane SCHEMBL29071666 0.81 ALDH1A1 (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1162283 0.80 GABRP (0.65) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18980778 0.80 GABRP (0.65) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28098659 0.80 GABRP (0.65) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28773014 0.79 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111808008-B Biological source herbicide 南京农业大学 2023-09-19 CN disclosed
US-11286234-B2 Phenyl urea derivatives as N-formyl peptide receptor modulators ALLERGAN, INC. (US) 2022-03-29 US disclosed
US-20210179550-A1 PHENYL UREA DERIVATIVES AS N-FORMYL PEPTIDE RECEPTOR MODULATORS ALLERGAN, INC. 2021-06-17 US disclosed
CN-111808008-A Biological source herbicide 南京农业大学 2020-10-23 CN disclosed
CN-110167921-A ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS 勃林格殷格翰动物保健美国公司 2019-08-23 CN disclosed
CN-105919987-A N-acyloxysulfonamide And N-hydroxy-n-acylsulfonamide Derivatives And Use Thereof 约翰斯霍普金斯大学 2016-09-07 CN disclosed
CN-102753520-B N-acyloxysulfonamide and N-hydroxy-N-acylsulfonamide derivatives 约翰斯霍普金斯大学 2016-06-08 CN disclosed
CN-102753519-A Diacylated hydroxylamine derivatives UNIV JOHNS HOPKINS 2012-10-24 CN disclosed
CN-102753520-A N-acyloxysulfonamide and n-hydroxy-n-acylsulfonamide derivatives UNIV JOHNS HOPKINS 2012-10-24 CN disclosed
CN-101305019-A New cyclic peptide compounds ASTELLAS PHARMA INC (JP) 2008-11-12 CN disclosed
EP-1957518-A1 NEW CYCLIC PEPTIDE COMPOUNDS Astellas Pharma Inc. (JP) 2008-08-20 EP disclosed
US-7375134-B2 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders AXYS PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
WO-2007049803-A1 NEW CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2007-05-03 WO disclosed
US-20050240023-A1 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders MERCK CANADA INC. (CA) 2005-10-27 US disclosed
CN-1209744-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-03-03 CN 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-11286234-B2 Phenyl urea derivatives as N-formyl peptide receptor modulators FPR1, FPR2, FPR3 GABRP 553/4885GABRD 1641/4885GABRA1 1316/4885
US-20210179550-A1 PHENYL UREA DERIVATIVES AS N-FORMYL PEPTIDE RECEPTOR MODULATORS FPR1, FPR2, FPR3 GABRP 553/4885GABRD 1641/4885GABRA1 1316/4885
US-20050240023-A1 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders CTSE, CTSS, CTSB GABRP 4192/4885GABRD 4764/4885GABRA1 3710/4885

“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.