SCHEMBL4688337

SCHEMBL4688337

CC(=O)N(c1ccccc1CCCN1CCC(Nc2ccc(C)cn2)CC1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.44
LMNA P02545 1/20 0.41
CCNK O75909 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 1/20 0.37
CCR6 P51684 1/20 0.37
FLT3 P36888 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
GAS6 Q14393 1/20 0.37
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
NOS2 P35228 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
CXCR3 P49682 1/20 0.35

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
SCHEMBL4687268 0.95 OPRM1 (0.48) OPRM1LMNACCNKCCNA2CDK2
SCHEMBL4687334 0.80 OPRM1 (0.48) OPRM1
SCHEMBL4691615 0.78 KCNH2 (0.42) CCNKCDK12DRD3CCR6FLT3
SCHEMBL4688328 0.78 NPC1 (0.40) DRD2DRD3CCR6FPR3FPR2
SCHEMBL4690613 0.74 OPRM1 (0.51) OPRM1
SCHEMBL13980606 0.73 SIGMAR1 (0.41) DRD2CCR6FPR3FPR2NOS2
SCHEMBL4691099 0.73 CCR6 (0.44) CCNKCDK12DRD2DRD3CCR6
SCHEMBL4688256 0.73 CCR6 (0.43) CCNKCDK12DRD2DRD3CCR6
SCHEMBL4686515 0.72 CCR3 (0.43) OPRM1CCNKCDK12CCR6NOS2
SCHEMBL4687260 0.72 CCR3 (0.44) CCNKCDK12CCR6

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 250/4885LMNA 3475/4885CCNK 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 OPRM1 1/4885LMNA 4826/4885CCNK 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.