SCHEMBL4690141

SCHEMBL4690141

CCCCCCC(CCCN1CCC(N(C(=O)c2ccco2)c2ccc(C)cn2)CC1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.44
CCR5 P51681 1/20 0.43
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
SCHEMBL4690133 0.97 CCR5 (0.45) OPRM1CCR5OPRD1OPRK1CACNA2D1
SCHEMBL4690136 0.88 OPRM1 (0.40) OPRM1CCR5OPRD1OPRK1CACNA2D1
SCHEMBL1843486 0.85 CCR5 (0.49) OPRM1CCR5OPRD1OPRK1CACNA2D1
Hydrochloric Acid SCHEMBL1846508 0.84 CCR5 (0.49) OPRM1CCR5OPRD1OPRK1CACNA2D1
SCHEMBL4690994 0.83 OPRM1 (0.49) OPRM1CCR5OPRD1OPRK1CACNA2D1
SCHEMBL4690230 0.83 OPRM1 (0.49) OPRM1CCR5OPRD1OPRK1CACNA2D1
SCHEMBL4930864 0.82 OPRM1 (0.51) OPRM1CCR5OPRD1OPRK1CACNA2D1
SCHEMBL4689991 0.82 OPRM1 (0.51) OPRM1CCR5OPRD1OPRK1CACNA2D1
SCHEMBL13980676 0.81 OPRM1 (0.47) OPRM1CCR5OPRD1OPRK1CACNA2D1
SCHEMBL1843591 0.80 CCR5 (0.44) OPRM1CCR5OPRD1OPRK1CACNA2D1

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 OPRM1 250/4885CCR5 1428/4885OPRD1 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 OPRM1 1/4885CCR5 87/4885OPRD1 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.