SCHEMBL4689735

SCHEMBL4689735

COC(=O)CC1(CC(=O)Nc2ccccc2CCN2CCC(NC(=O)c3occc3-c3ccc(C)cn3)CC2)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
MAPK10 P53779 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE10A Q9Y233 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 1/20 0.34
CCR3 P51677 2/20 0.33
HSD11B1 P28845 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 2/20 0.32
OPRM1 P35372 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HPGDS O60760 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL4692372 0.94 POLB (0.38) TSHRMAPK10SMN1; SMN2PDE10ANPSR1
SCHEMBL4686728 0.86 TSHR (0.48) TSHRMAPK10SMN1; SMN2PDE10ANPSR1
SCHEMBL4690106 0.85 PDE10A (0.44) TSHRMAPK10SMN1; SMN2PDE10ANPSR1
SCHEMBL4688399 0.85 HSD11B1 (0.33) HSD11B1KDM4E
SCHEMBL4688839 0.84 TSHR (0.39) TSHRMAPK10SMN1; SMN2PDE10AALDH1A1
SCHEMBL4690214 0.81 PDE10A (0.43) TSHRMAPK10SMN1; SMN2PDE10ANPSR1
SCHEMBL4688053 0.81 PDE10A (0.39) TSHRMAPK10SMN1; SMN2PDE10AALDH1A1
SCHEMBL4686523 0.80 PDE10A (0.37) PDE10APOLBSIGMAR1HPGDSL3MBTL1
SCHEMBL1847387 0.79 PDE10A (0.40) PDE10ALMNAHPGDSL3MBTL1
SCHEMBL4686652 0.78 PDE10A (0.38) PDE10AALDH1A1LMNAHPGDSMEN1

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 4 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-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 3215/4885MAPK10 2341/4885SMN1; SMN2 4591/4885
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 570/4885MAPK10 2829/4885SMN1; SMN2 3652/4885

“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.