SCHEMBL4690633

SCHEMBL4690633

CCOC(=O)CN(CC(=O)OCC)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 5/20 0.46
TRPA1 O75762 1/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP1A2 P05177 1/20 0.40
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SOAT1 P35610 1/20 0.39
HCAR2 Q8TDS4 1/20 0.37
GLO1 Q04760 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL14281116 0.91 CA12 (0.47) GAAMGAMSIMGAM2CA12
SCHEMBL10884183 0.87 CA12 (0.44) GAAMGAMSIMGAM2CA12
SCHEMBL3178805 0.82 CA12 (0.41) GAAMGAMSIMGAM2CA12
SCHEMBL10042520 0.81 GAA (0.50) GAAMGAMSIMGAM2CA12
SCHEMBL27637236 0.81 CA12 (0.55) GAAMGAMSIMGAM2CA12
SCHEMBL196815 0.80
SCHEMBL6360135 0.80 NPC1 (0.49) CA12CA1CA2CA9ALDH1A1
SCHEMBL13407485 0.79 CA12 (0.48) GAAMGAMSIMGAM2CA12
SCHEMBL4690630 0.79 CA12 (0.48) GAAMGAMSIMGAM2CA12
SCHEMBL7668945 0.79 CA12 (0.64) GAAMGAMSIMGAM2CA12

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 13 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 claimed
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 claimed
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 claimed
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 claimed
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 US disclosed
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
CN-1326853-C 4- (2-furoyl) aminopiperidines, intermediates for the synthesis thereof, process for the preparation thereof and use thereof as medicaments KYORIN SEIYAKU KK (JP) 2007-07-18 CN 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
CN-1582286-A Novel 4-2-furoylaminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same KYORIN SEIYAKU KK (JP) 2005-02-16 CN 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 (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-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 GAA 2095/4885MGAM 2331/4885SI 3642/4885
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 GAA 3298/4885MGAM 3105/4885SI 4338/4885
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 GAA 4866/4885MGAM 4865/4885SI 779/4885

“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.