SCHEMBL6507394

SCHEMBL6507394

O=C(NC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.78
CCR3 P51677 2/20 0.73
MCHR1 Q99705 4/20 0.70
KMT2A Q03164 3/20 0.67
DRD4 P21917 2/20 0.66
MEN1 O00255 1/20 0.65
SIGMAR1 Q99720 1/20 0.65
NPC1 O15118 1/20 0.64
SLC6A12 P48065 1/20 0.64
SLC6A13 Q9NSD5 1/20 0.64
PRKAA2 P54646 1/20 0.63

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
SCHEMBL7218171 0.90 TMEM97 (0.74) MCHR1KMT2ADRD4MEN1SIGMAR1
SCHEMBL6499380 0.87 CCR8 (1.00) CCR8CCR3SIGMAR1
SCHEMBL6500103 0.85 CCR8 (1.00) CCR8SIGMAR1
SCHEMBL694949 0.85 SIGMAR1 (0.82) MCHR1KMT2ADRD4MEN1SIGMAR1
SCHEMBL6509291 0.84 CCR8 (0.82) CCR8MCHR1SIGMAR1PRKAA2
SCHEMBL6498271 0.84 CCR8 (0.82) CCR8CCR3SIGMAR1
SCHEMBL6499972 0.84 CCR8 (0.73) CCR8CCR3KMT2ASIGMAR1PRKAA2
SCHEMBL8738231 0.83 DRD2 (0.77) MCHR1DRD4
SCHEMBL8738579 0.83 DRD2 (0.77) MCHR1DRD4
SCHEMBL6529983 0.82 CCR8 (0.70) CCR8CCR3

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 CCR8 1/4885CCR3 18/4885MCHR1 453/4885

“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.