SCHEMBL4927446

SCHEMBL4927446

[CH2]C(=O)NC(COC(C)=O)(COC(C)=O)COC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 2/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.33
HTT P42858 1/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRNB2 P17787 1/20 0.32
TBXA2R P21731 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 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
SCHEMBL16627113 0.81 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL6036636 0.77 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL14985002 0.76 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL4687219 0.74 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL17175154 0.74 PKM (0.44) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL12403752 0.73 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10PKMCHRM5
SCHEMBL12471285 0.73 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL14985003 0.71 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL14984909 0.71 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10PKMKDM4E
SCHEMBL309351 0.69 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194826-A1 Novel 4-(2-furoyl) aminopiperidienes, intermediates for synthesizing the same, processes for preparing the same and medicinal use of the same KYORIN PHARMACEUTICAL CO., LTD. 2008-08-14 US disclosed
US-7375115-B2 4-(2-furoyl) aminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-05-20 US disclosed
US-20050085508-A1 Novel 4-(2-furoyl) aminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-04-21 US disclosed
EP-1443046-A1 NOVEL 4-(2FUROYL)AMINOPIPERIDINES, INTERMEDIATES IN SYNTHESIZING THE SAME, PROCESS FOR PRODUCING THE SAME AND MEDICINAL USE OF THE SAME Kyorin Pharmaceutical Co., Ltd. (JP) 2004-08-04 EP 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 (2 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-20080194826-A1 Novel 4-(2-furoyl) aminopiperidienes, intermediates for synthesizing the same, processes for preparing the same and medicinal use of the same CYP4F2, CYP1A2, CYP4B1 ALDH1A1 383/4885LMNA 3475/4885HSD17B10 818/4885
US-20050085508-A1 Novel 4-(2-furoyl) aminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same OPRM1, OPRD1, HRH4 ALDH1A1 2958/4885LMNA 4826/4885HSD17B10 4116/4885

“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.