SCHEMBL6497859

SCHEMBL6497859

O=c1[nH]c2ccccc2n1C1CCN(Cc2cccc(Oc3ccccc3OC(F)(F)F)c2)CC1

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.84
OPRK1 P41145 1/20 0.62
OPRL1 P41146 1/20 0.62
CHRM1 P11229 3/20 0.52
DRD2 P14416 2/20 0.52
KCNH2 Q12809 2/20 0.52
DRD4 P21917 1/20 0.52
CHRM3 P20309 1/20 0.51
HTR1A P08908 1/20 0.51
CHRM5 P08912 1/20 0.51
HTR2A P28223 1/20 0.51
DRD3 P35462 1/20 0.51

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
SCHEMBL7068005 0.88 OPRM1 (0.84) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL6504792 0.86 OPRM1 (0.72) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL6507053 0.86 OPRM1 (0.72) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL6498522 0.86 OPRM1 (0.74) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL7067624 0.86 OPRM1 (0.74) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL6496007 0.86 OPRM1 (0.83) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL6503296 0.86 OPRM1 (0.73) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL6498307 0.86 OPRM1 (0.73) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL6504180 0.85 OPRM1 (0.76) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL6507423 0.85 OPRM1 (0.75) OPRM1OPRK1OPRL1CHRM1DRD2

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 1 patent. 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

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 OPRM1 494/4885OPRK1 246/4885OPRL1 140/4885

“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.