SCHEMBL6499228

SCHEMBL6499228

CCN1CCC(C(=O)O)(c2ccc(C)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.61
OPRD1 P41143 6/20 0.61
OPRK1 P41145 6/20 0.61
CYP2C19 P33261 2/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP1A2 P05177 1/20 0.50
HSD11B1 P28845 1/20 0.47
SLC22A1 O15245 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
KCNH2 Q12809 1/20 0.47
TET3 O43151 1/20 0.46
FBXL19 Q6PCT2 1/20 0.46
CXXC5 Q7LFL8 1/20 0.46
TET1 Q8NFU7 1/20 0.46
KDM2B Q8NHM5 1/20 0.46
CXXC4 Q9H2H0 1/20 0.46

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
SCHEMBL503892 0.87 OPRM1 (0.73) OPRM1OPRD1OPRK1KMT2ASLC22A1
SCHEMBL6496131 0.86 OPRM1 (0.56) OPRM1OPRD1OPRK1CYP2C19KMT2A
SCHEMBL12121940 0.86 KMT2A (0.58) OPRM1OPRD1OPRK1KMT2AMEN1
SCHEMBL6498839 0.86 HSD11B1 (0.63) OPRM1OPRD1OPRK1CYP2C19KMT2A
SCHEMBL17888245 0.82 OPRM1 (0.64) OPRM1OPRD1OPRK1CYP2C19KMT2A
SCHEMBL351393 0.81 AKR1C1 (0.55) OPRM1CYP2C19KMT2AMEN1LMNA
SCHEMBL6504241 0.78 OPRM1 (0.65) OPRM1OPRD1OPRK1KMT2ASLC22A1
SCHEMBL3485961 0.78 AKR1C1 (0.62) OPRM1CYP2C19KMT2AMEN1LMNA
SCHEMBL1048151 0.78 AKR1C1 (0.68) OPRM1CYP2C19KMT2AMEN1CYP1A2
SCHEMBL7063427 0.78 OPRM1 (0.50) OPRM1OPRD1OPRK1KMT2AMEN1

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 494/4885OPRD1 565/4885OPRK1 246/4885

“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.