SCHEMBL4687399

SCHEMBL4687399

COC(=O)c1ccccc1NC(=O)CC1(CCN2CCC(N(C(=O)c3ccco3)c3ccc(C)cc3)CC2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.47
OPRD1 P41143 2/20 0.47
OPRK1 P41145 2/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPK10 P53779 4/20 0.46
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4687558 0.93 OPRM1 (0.51) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4686730 0.90 ALDH1A1 (0.42) OPRM1OPRD1OPRK1ALDH1A1MAPK10
SCHEMBL13980768 0.87 OPRM1 (0.54) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4688268 0.86 OPRM1 (0.53) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4689924 0.85 OPRM1 (0.48) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4687336 0.84 OPRM1 (0.58) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL14088950 0.83 OPRM1 (0.49) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4690458 0.83 OPRM1 (0.50) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4686725 0.83 OPRM1 (0.52) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4688844 0.83 OPRM1 (0.43) OPRM1OPRD1OPRK1CHRM2CHRM3

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 OPRM1 250/4885OPRD1 522/4885OPRK1 717/4885
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 OPRM1 1/4885OPRD1 2/4885OPRK1 5/4885

“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.