SCHEMBL4690301

SCHEMBL4690301

CCOC(=O)CCCNC(=O)CC1(CCN2CCC(NC(=O)c3occc3-c3ccc(C)cn3)CC2)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
HTR4 Q13639 2/20 0.35
PDE10A Q9Y233 2/20 0.34
CNR2 P34972 3/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 1/20 0.32
KDR P35968 1/20 0.31
MAPT P10636 1/20 0.31
HPGDS O60760 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
DRD3 P35462 1/20 0.31
HPGD P15428 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
SCHEMBL4691347 0.99 TSHR (0.39) TSHRHTR4PDE10ACNR2LMNA
SCHEMBL4686584 0.95 PDE10A (0.34) TSHRHTR4PDE10ACNR2LMNA
SCHEMBL5113065 0.92 PDE10A (0.37) PDE10ALMNAL3MBTL1FPR3FPR2
SCHEMBL4691078 0.89 TSHR (0.41) TSHRHTR4CNR2LMNAL3MBTL1
SCHEMBL4691747 0.88 PDE10A (0.37) PDE10ALMNAL3MBTL1FPR3FPR2
SCHEMBL4686523 0.87 PDE10A (0.37) HTR4PDE10ACNR2L3MBTL1HPGDS
SCHEMBL4686652 0.86 PDE10A (0.38) PDE10ALMNAL3MBTL1FPR3FPR2
SCHEMBL4686983 0.85 PDE10A (0.41) HTR4PDE10AL3MBTL1KMT2AHPGDS
SCHEMBL1847387 0.84 PDE10A (0.40) HTR4PDE10ALMNAL3MBTL1HPGDS
SCHEMBL4686955 0.84 PDE10A (0.33) PDE10AHPGDS

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 TSHR 3215/4885HTR4 916/4885PDE10A 317/4885
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 TSHR 570/4885HTR4 132/4885PDE10A 2390/4885

“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.