SCHEMBL4691340

SCHEMBL4691340

CC(=O)Oc1cc(OCCC2(CCN3CCC(Nc4ccc(C)cn4)CC3)CCCCC2)cc(OC(C)=O)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 2/20 0.39
PDE10A Q9Y233 1/20 0.34
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
NOS1 P29475 3/20 0.34
NOS2 P35228 3/20 0.34
NOS3 P29474 2/20 0.34
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
LTA4H P09960 1/20 0.33
KDM1A O60341 1/20 0.32
SYK P43405 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 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
SCHEMBL4687126 0.90 CA12 (0.37) HRH3LTA4H
SCHEMBL4691332 0.86 CCR6 (0.39) CCR6PDE10ACCNKCDK12NOS1
SCHEMBL13980679 0.85 CCR6 (0.38) CCR6PDE10ACCNKCDK12NOS1
SCHEMBL4691335 0.82 MEN1 (0.38) CCR6NOS1NOS2HRH3SYK
SCHEMBL4692641 0.80 CCR6 (0.41) CCR6PDE10ACCNKCDK12NOS1
SCHEMBL4690523 0.79 CCR6 (0.45) CCR6PDE10ACCNKCDK12NOS1
SCHEMBL13980741 0.79 CCR6 (0.46) CCR6PDE10ACCNKCDK12NOS1
SCHEMBL4691082 0.78 CCR6 (0.39) CCR6PDE10ACCNKCDK12NOS1
SCHEMBL13980739 0.78 CCR6 (0.47) CCR6PDE10ACCNKCDK12NOS1
SCHEMBL4687972 0.78 CCR6 (0.42) CCR6PDE10ACCNKCDK12NOS1

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 CCR6 3265/4885PDE10A 317/4885CCNK 472/4885
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 CCR6 272/4885PDE10A 2390/4885CCNK 2181/4885

“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.