SCHEMBL6498477

SCHEMBL6498477

O=C1NCN(c2ccccc2)C12CCN(Cc1cccc(Oc3ccccc3C(F)(F)F)c1)CC2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 11/20 0.76
OPRL1 P41146 10/20 0.76
OPRM1 P35372 10/20 0.76
OPRD1 P41143 9/20 0.76
DRD2 P14416 4/20 0.76
DRD3 P35462 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
ADRB1 P08588 2/20 0.76
HRH1 P35367 2/20 0.76
SIGMAR1 Q99720 2/20 0.76
CACNA1F O60840 1/20 0.76
CHRM2 P08172 1/20 0.76
SLC6A2 P23975 1/20 0.76
CACNA1D Q01668 1/20 0.76
CACNA1S Q13698 1/20 0.76
CACNA1C Q13936 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
SCHEMBL6496857 0.90 OPRK1 (0.76) OPRK1OPRL1OPRM1OPRD1DRD2
SCHEMBL6506316 0.87 OPRK1 (1.00) OPRK1OPRL1OPRM1OPRD1DRD2
SCHEMBL6505331 0.86 OPRL1 (0.80) OPRK1OPRL1OPRM1OPRD1DRD2
SCHEMBL6506309 0.86 OPRL1 (0.80) OPRK1OPRL1OPRM1OPRD1DRD2
SCHEMBL6508685 0.86 OPRK1 (0.80) OPRK1OPRL1OPRM1OPRD1DRD2
SCHEMBL6507957 0.86 OPRL1 (0.79) OPRK1OPRL1OPRM1OPRD1DRD2
SCHEMBL6505717 0.86 OPRK1 (0.79) OPRK1OPRL1OPRM1OPRD1DRD2
SCHEMBL6498210 0.84 OPRL1 (0.76) OPRK1OPRL1OPRM1OPRD1DRD2
SCHEMBL6505480 0.84 OPRK1 (0.76) OPRK1OPRL1OPRM1OPRD1DRD2
SCHEMBL6496724 0.84 OPRK1 (0.76) OPRK1OPRL1OPRM1OPRD1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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.