SCHEMBL6506121

SCHEMBL6506121

O=C1CC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CN1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 5/20 0.57
KCNH2 Q12809 4/20 0.57
SIGMAR1 Q99720 2/20 0.53
CACNA1F O60840 1/20 0.53
CHRM2 P08172 1/20 0.53
ADRB1 P08588 1/20 0.53
DRD2 P14416 1/20 0.53
SLC6A2 P23975 1/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
HRH1 P35367 1/20 0.53
ADRA1B P35368 1/20 0.53
OPRM1 P35372 1/20 0.53
DRD3 P35462 1/20 0.53
OPRD1 P41143 1/20 0.53
OPRK1 P41145 1/20 0.53
OPRL1 P41146 1/20 0.53
CACNA1D Q01668 1/20 0.53
SLC6A3 Q01959 1/20 0.53
CACNA1S Q13698 1/20 0.53

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
SCHEMBL6503779 0.89 CCR8 (0.60) CCR8KCNH2SIGMAR1ADRA1B
SCHEMBL6498161 0.79 CYP2D6 (0.60) CCR8KCNH2KDM4EALDH1A1TDP1
SCHEMBL6507342 0.77 SIGMAR1 (0.55) CCR8KCNH2SIGMAR1CACNA1FCHRM2
SCHEMBL5197063 0.77 CCR8 (0.74) CCR8KCNH2CHRM2KDM4EALDH1A1
SCHEMBL13743319 0.76 ALDH1A1 (0.70) CCR8KCNH2SIGMAR1CACNA1FCHRM2
SCHEMBL5400244 0.76 CCR8 (0.76) CCR8KCNH2CHRM2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4186299 0.75 ALDH1A1 (0.68) CCR8KCNH2SIGMAR1CACNA1FCHRM2
SCHEMBL6496361 0.75 SIGMAR1 (0.51) CCR8KCNH2SIGMAR1CACNA1FCHRM2
SCHEMBL2790802 0.74 CCR8 (0.71) CCR8KCNH2FAAH
SCHEMBL5431975 0.74 CCR8 (0.87) CCR8KCNH2CHRM2KDM4EALDH1A1

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 CCR8 1/4885KCNH2 4349/4885SIGMAR1 525/4885

“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.