SCHEMBL4690050

SCHEMBL4690050

Cc1ccc(NC2CCN(CCC3(CCN(C(=O)O)N4CCC(Nc5ccc(C)cn5)CC4)CCCCC3)CC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 2/20 0.38
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
CCNK O75909 2/20 0.35
CDK12 Q9NYV4 2/20 0.35
HCAR3 P49019 3/20 0.34
PDE10A Q9Y233 1/20 0.34
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NOS2 P35228 2/20 0.33
KDM1A O60341 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR1A P08908 1/20 0.33
TDO2 P48775 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
SCHEMBL4687972 0.84 CCR6 (0.42) CCR6FPR3FPR2CCNKCDK12
SCHEMBL4692641 0.84 CCR6 (0.41) CCR6FPR3FPR2CCNKCDK12
SCHEMBL4690408 0.83 CCR6 (0.43) CCR6FPR3FPR2CCNKCDK12
SCHEMBL1844643 0.82 CCR6 (0.43) CCR6FPR3FPR2CCNKCDK12
SCHEMBL4690523 0.81 CCR6 (0.45) CCR6FPR3FPR2CCNKCDK12
SCHEMBL13980741 0.81 CCR6 (0.46) CCR6FPR3FPR2CCNKCDK12
SCHEMBL13980739 0.80 CCR6 (0.47) CCR6FPR3FPR2CCNKCDK12
SCHEMBL4689885 0.80 CCR6 (0.44) CCR6FPR3FPR2CCNKCDK12
SCHEMBL4687121 0.79 CCR6 (0.41) CCR6FPR3FPR2CCNKCDK12
SCHEMBL4693364 0.79 CCR6 (0.44) CCR6FPR3FPR2CCNKCDK12

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 3265/4885FPR3 1142/4885FPR2 278/4885
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 272/4885FPR3 198/4885FPR2 98/4885

“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.