SCHEMBL6505480

SCHEMBL6505480

N#Cc1ccccc1Oc1cccc(CN2CCC3(CC2)C(=O)NCN3c2ccccc2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 12/20 0.76
OPRL1 P41146 11/20 0.76
OPRM1 P35372 11/20 0.76
OPRD1 P41143 10/20 0.76
DRD3 P35462 5/20 0.76
DRD2 P14416 4/20 0.76
SLC6A3 Q01959 3/20 0.76
ADRA1D P25100 3/20 0.76
ADRA1A P35348 3/20 0.76
ADRA1B P35368 3/20 0.76
SIGMAR1 Q99720 3/20 0.76
ADRB1 P08588 2/20 0.76
HRH1 P35367 2/20 0.76
CACNA1F O60840 2/20 0.76
CACNA1D Q01668 2/20 0.76
CACNA1S Q13698 2/20 0.76
CACNA1C Q13936 2/20 0.76
CHRM2 P08172 1/20 0.76
SLC6A2 P23975 1/20 0.76
CCR8 P51685 1/20 0.57

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
SCHEMBL6506316 0.87 OPRK1 (1.00) OPRK1OPRL1OPRM1OPRD1DRD3
SCHEMBL6505331 0.86 OPRL1 (0.80) OPRK1OPRL1OPRM1OPRD1DRD3
SCHEMBL6506309 0.86 OPRL1 (0.80) OPRK1OPRL1OPRM1OPRD1DRD3
SCHEMBL6508685 0.86 OPRK1 (0.80) OPRK1OPRL1OPRM1OPRD1DRD3
SCHEMBL6505717 0.86 OPRK1 (0.79) OPRK1OPRL1OPRM1OPRD1DRD3
SCHEMBL6507957 0.86 OPRL1 (0.79) OPRK1OPRL1OPRM1OPRD1DRD3
SCHEMBL6508650 0.85 OPRL1 (0.69) OPRK1OPRL1OPRM1OPRD1DRD3
SCHEMBL6498210 0.84 OPRL1 (0.76) OPRK1OPRL1OPRM1OPRD1DRD3
SCHEMBL6496857 0.84 OPRK1 (0.76) OPRK1OPRL1OPRM1OPRD1DRD3
SCHEMBL6498477 0.84 OPRK1 (0.76) OPRK1OPRL1OPRM1OPRD1DRD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 US disclosed
WO-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 WO 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-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B OPRK1 4542/4885OPRL1 4836/4885OPRM1 4764/4885
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 OPRK1 246/4885OPRL1 140/4885OPRM1 494/4885

“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.