SCHEMBL4690133

SCHEMBL4690133

CCCCCCCC(CCN1CCC(N(C(=O)c2ccco2)c2ccc(C)cn2)CC1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.45
OPRM1 P35372 9/20 0.44
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
CACNA2D1 P54289 1/20 0.42
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL4690141 0.97 OPRM1 (0.44) CCR5OPRM1OPRD1OPRK1CACNA2D1
SCHEMBL4690136 0.88 OPRM1 (0.40) CCR5OPRM1OPRD1OPRK1CACNA2D1
SCHEMBL1843486 0.87 CCR5 (0.49) CCR5OPRM1OPRD1OPRK1CACNA2D1
Hydrochloric Acid SCHEMBL1846508 0.86 CCR5 (0.49) CCR5OPRM1OPRD1OPRK1CACNA2D1
SCHEMBL13980676 0.82 OPRM1 (0.47) CCR5OPRM1OPRD1OPRK1CACNA2D1
SCHEMBL4690994 0.82 OPRM1 (0.49) CCR5OPRM1OPRD1OPRK1CACNA2D1
SCHEMBL4689991 0.82 OPRM1 (0.51) CCR5OPRM1OPRD1OPRK1CACNA2D1
SCHEMBL4930864 0.82 OPRM1 (0.51) CCR5OPRM1OPRD1OPRK1CACNA2D1
SCHEMBL1843591 0.81 CCR5 (0.44) CCR5OPRM1OPRD1OPRK1CACNA2D1
SCHEMBL4690230 0.81 OPRM1 (0.49) CCR5OPRM1OPRD1OPRK1CACNA2D1

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 CCR5 1428/4885OPRM1 250/4885OPRD1 522/4885
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 CCR5 87/4885OPRM1 1/4885OPRD1 2/4885

“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.