SCHEMBL6527337

SCHEMBL6527337

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.77
OPRK1 P41145 3/20 0.77
OPRL1 P41146 3/20 0.77
DRD4 P21917 2/20 0.61
CHRM1 P11229 2/20 0.59
AKT1 P31749 1/20 0.58
AKT2 P31751 1/20 0.58
AKT3 Q9Y243 1/20 0.58
CACNA1F O60840 1/20 0.58
CHRM2 P08172 1/20 0.58
DRD2 P14416 1/20 0.58
DRD1 P21728 1/20 0.58
ADRA1D P25100 1/20 0.58
HTR7 P34969 1/20 0.58
ADRA1A P35348 1/20 0.58
ADRA1B P35368 1/20 0.58
DRD3 P35462 1/20 0.58
OPRD1 P41143 1/20 0.58
CACNA1D Q01668 1/20 0.58
CACNA1S Q13698 1/20 0.58

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
SCHEMBL3665096 0.87 OPRM1 (1.00) OPRM1OPRK1OPRL1DRD4CHRM1
SCHEMBL6496007 0.85 OPRM1 (0.83) OPRM1OPRK1OPRL1DRD4CHRM1
SCHEMBL8863557 0.83 OPRM1 (0.91) OPRM1OPRK1OPRL1DRD4CHRM1
Oxalic Acid SCHEMBL5778025 0.83 OPRM1 (0.91) OPRM1OPRK1OPRL1DRD4AKT1
SCHEMBL1577859 0.82 OPRM1 (0.76) OPRM1OPRK1OPRL1DRD4CHRM1
SCHEMBL6528066 0.82 OPRM1 (0.76) OPRM1OPRK1OPRL1DRD4CHRM1
SCHEMBL13959551 0.82 OPRM1 (0.70) OPRM1OPRK1OPRL1DRD4CHRM1
SCHEMBL8786338 0.82 DRD4 (0.83) DRD4DRD2DRD3
SCHEMBL20763210 0.81 OPRM1 (1.00) OPRM1OPRK1OPRL1DRD4CHRM1
SCHEMBL11223608 0.80 OPRM1 (0.86) OPRM1OPRK1OPRL1DRD4CHRM1

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.