SCHEMBL6528091

SCHEMBL6528091

S=c1[nH]c2ccccc2n1C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.66
OPRK1 P41145 1/20 0.59
OPRL1 P41146 1/20 0.59
POLB P06746 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
DRD2 P14416 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
DRD4 P21917 1/20 0.50
CHRM1 P11229 1/20 0.49
KCNH2 Q12809 1/20 0.49
CCR8 P51685 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL6496007 0.88 OPRM1 (0.83) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL6504966 0.78 OPRM1 (0.70) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL6504138 0.78 CHRM1 (0.77) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL6504792 0.78 OPRM1 (0.72) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL7067624 0.77 OPRM1 (0.74) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL7068005 0.77 OPRM1 (0.84) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL6498522 0.77 OPRM1 (0.74) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL4931452 0.77 OPRM1 (0.59) OPRM1OPRK1OPRL1POLBDRD2
SCHEMBL6504972 0.77 OPRM1 (0.68) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL6504180 0.77 OPRM1 (0.76) OPRM1OPRK1OPRL1DRD2DRD4

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 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.