SCHEMBL5114014

SCHEMBL5114014

CC(=O)OC1CCOC(OC(C)=O)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
CHRM2 P08172 7/20 0.35
CHRM1 P11229 5/20 0.35
CHRM4 P08173 4/20 0.35
CHRM3 P20309 4/20 0.35
CHRM5 P08912 2/20 0.35
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL12122163 1.00 TSHR (0.42) TSHRCHRM2CHRM1CHRM4CHRM3
SCHEMBL12122164 0.84 TSHR (0.31) TSHR
SCHEMBL5863104 0.83
SCHEMBL12122172 0.81 CHRM2 (0.35) TSHRCHRM2CHRM1CHRM4CHRM3
SCHEMBL17294371 0.81 TSHR (0.42) TSHRCHRM2CHRM1CHRM4CHRM3
SCHEMBL21775732 0.79 CHRM2 (0.34) TSHRCHRM2CHRM1CHRM4CHRM3
SCHEMBL325325 0.79 CHRM2 (0.32) TSHRCHRM2CHRM1CHRM4CHRM3
SCHEMBL22083320 0.77
SCHEMBL20776443 0.75 CHRM2 (0.32) TSHRCHRM2CHRM1CHRM4CHRM3
SCHEMBL21727736 0.75 CHRM2 (0.32) TSHRCHRM2CHRM1CHRM4CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020038279-A1 SUBSTITUTED PYRAZOLE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF 天津谷堆生物医药科技有限公司 2020-02-27 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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 TSHR 570/4885CHRM2 22/4885CHRM1 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.