SCHEMBL4686730

SCHEMBL4686730

COC(=O)c1ccccc1NC(=O)CC1(CCN2CCC(N(C(=O)c3ccco3)c3ccc(C)cn3)CC2)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPK10 P53779 3/20 0.42
OPRM1 P35372 6/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CACNA2D1 P54289 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4688844 0.93 OPRM1 (0.43) OPRM1OPRD1OPRK1CACNA2D1
SCHEMBL4687399 0.90 OPRM1 (0.47) ALDH1A1MAPK10OPRM1OPRD1OPRK1
SCHEMBL14088930 0.88 OPRM1 (0.45) OPRM1OPRD1OPRK1CACNA2D1
SCHEMBL4687221 0.87 OPRM1 (0.44) OPRM1OPRD1OPRK1CACNA2D1
SCHEMBL13980771 0.87 OPRM1 (0.46) OPRM1OPRD1OPRK1CACNA2D1
SCHEMBL4689738 0.86 OPRM1 (0.44) OPRM1OPRD1OPRK1CACNA2D1
SCHEMBL1847389 0.85 OPRM1 (0.48) OPRM1OPRD1OPRK1CACNA2D1
SCHEMBL13980630 0.85 OPRM1 (0.41) OPRM1OPRD1OPRK1CACNA2D1
SCHEMBL4686658 0.84 OPRM1 (0.44) OPRM1OPRD1OPRK1CACNA2D1
SCHEMBL4787291 0.84 OPRM1 (0.44) OPRM1OPRD1OPRK1CACNA2D1

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 383/4885MAPK10 2341/4885OPRM1 250/4885
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 2958/4885MAPK10 2829/4885OPRM1 1/4885

“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.