SCHEMBL6528291

SCHEMBL6528291

Cc1nc2ccccc2n1C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
TSHR P16473 1/20 0.56
CYP2D6 P10635 1/20 0.55
CCR5 P51681 1/20 0.55
CCR8 P51685 4/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
OPRM1 P35372 2/20 0.52
AKT1 P31749 3/20 0.52
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
AKT2 P31751 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
FAAH O00519 1/20 0.49
MGLL Q99685 1/20 0.49
TRPV6 Q9H1D0 1/20 0.49

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
SCHEMBL6529044 0.88 OPRM1 (0.50) LMNACCR8KDM4EALDH1A1TDP1
SCHEMBL7586080 0.87 CCR5 (0.67) LMNATSHRCYP2D6CCR5ALDH1A1
SCHEMBL7174115 0.80 FAAH (0.62) LMNACCR8KDM4EALDH1A1TDP1
SCHEMBL1449091 0.78 MEN1 (0.49) LMNATSHRCYP2D6CCR5OPRM1
SCHEMBL6496325 0.76 KDM4E (0.58) CYP2D6CCR8KDM4EALDH1A1TDP1
SCHEMBL31587361 0.76 CCR5 (0.56) LMNATSHRCYP2D6CCR5OPRM1
SCHEMBL6496007 0.76 OPRM1 (0.83) OPRM1AKT1AKT2DRD2DRD4
SCHEMBL13687264 0.76 CCR5 (0.68) LMNATSHRCYP2D6CCR5HTT
SCHEMBL24478113 0.75 CCR8 (0.49) CCR8KDM4EALDH1A1TDP1OPRM1
SCHEMBL30534083 0.75 CCR8 (0.49) CCR8KDM4EALDH1A1TDP1OPRM1

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 LMNA 4603/4885TSHR 3179/4885CYP2D6 1424/4885

“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.