SCHEMBL4690035

SCHEMBL4690035

[CH2]CC(CCOC(C)=O)(COC(C)=O)COC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
CHRNB2 P17787 1/20 0.38
TBXA2R P21731 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
TSHR P16473 1/20 0.38
GALR3 O60755 2/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL9115523 0.80 ALDH1A1 (0.39) ALDH1A1CHRM5CHRM1CHRM3SMN1; SMN2
SCHEMBL309351 0.75 ALDH1A1 (0.50) ALDH1A1CHRM5CHRM1CHRM3SMN1; SMN2
SCHEMBL9116576 0.74 ALDH1A1 (0.38) ALDH1A1CHRM5CHRM1CHRM3SMN1; SMN2
SCHEMBL3683181 0.74 ALDH1A1 (0.44) ALDH1A1CHRM5CHRM1CHRM3SMN1; SMN2
SCHEMBL11621251 0.72 ALDH1A1 (0.43) ALDH1A1CHRM5CHRM1CHRM3SMN1; SMN2
SCHEMBL9114561 0.70 ALDH1A1 (0.40) ALDH1A1CHRM5CHRM1CHRM3SMN1; SMN2
SCHEMBL9261901 0.70 ALDH1A1 (0.46) ALDH1A1CHRM5CHRM1CHRM3SMN1; SMN2
SCHEMBL2517291 0.70 ALDH1A1 (0.44) ALDH1A1CHRM5CHRM1CHRM3SMN1; SMN2
SCHEMBL23653339 0.69 ALDH1A1 (0.45) ALDH1A1CHRM5CHRM1CHRM3SMN1; SMN2
SCHEMBL12445290 0.69 ALDH1A1 (0.40) ALDH1A1CHRM5CHRM1CHRM3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443046-B1 NOVEL 4-(2FUROYL)AMINOPIPERIDINES, INTERMEDIATES IN SYNTHESIZING THE SAME, PROCESS FOR PRODUCING THE SAME AND MEDICINAL USE OF THE SAME KYORIN SEIYAKU KK (JP) 2008-12-17 EP disclosed
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 383/4885CHRM5 1585/4885CHRM1 1358/4885
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 2958/4885CHRM5 8/4885CHRM1 17/4885

“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.