SCHEMBL4690456

SCHEMBL4690456

Cc1ccc(N(C(=O)c2ccco2)C2CCN(CCC3(C(C(N)=O)S(C)(=O)=O)CCCCC3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.51
OPRD1 P41143 2/20 0.51
OPRK1 P41145 2/20 0.51
CHRM2 P08172 1/20 0.48
CHRM3 P20309 1/20 0.48
CCR5 P51681 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL4689989 0.86 OPRM1 (0.55) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4688140 0.84 OPRM1 (0.52) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4688147 0.83 OPRM1 (0.53) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4687188 0.83 OPRM1 (0.55) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL27564860 0.83 OPRM1 (0.53) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL1846545 0.82 OPRM1 (0.55) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4690128 0.81 OPRM1 (0.51) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL27564282 0.81 OPRM1 (0.59) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4690361 0.81 OPRM1 (0.56) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL4688809 0.81 OPRM1 (0.56) OPRM1OPRD1OPRK1CHRM2CHRM3

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-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 (1 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-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 1/4885OPRD1 2/4885OPRK1 5/4885

“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.