SCHEMBL6528764

SCHEMBL6528764

N#CC1(c2ccccc2)CCN(Cc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.71
OPRL1 P41146 4/20 0.68
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
TRPV6 Q9H1D0 1/20 0.53
OPRD1 P41143 2/20 0.52
CACNA1F O60840 1/20 0.52
CHRM2 P08172 1/20 0.52
ADRB1 P08588 1/20 0.52
DRD2 P14416 1/20 0.52
SLC6A2 P23975 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
ADRA1B P35368 1/20 0.52
DRD3 P35462 1/20 0.52
OPRK1 P41145 1/20 0.52

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
SCHEMBL476404 0.84 OPRM1 (1.00) OPRM1OPRL1OPRD1DRD2DRD3
Hydrochloric Acid SCHEMBL2473959 0.83 OPRM1 (0.97) OPRM1OPRL1OPRD1DRD2DRD3
SCHEMBL4872137 0.82 OPRM1 (0.70) OPRM1OPRL1ALDH1A1OPRD1SIGMAR1
SCHEMBL7129026 0.81 OPRL1 (0.69) OPRM1OPRL1KDM4EALDH1A1TDP1
SCHEMBL6529499 0.81 ALDH1A1 (0.65) OPRM1OPRL1KDM4EALDH1A1TDP1
Hydrochloric Acid SCHEMBL8355555 0.81 OPRM1 (0.68) OPRM1OPRL1ALDH1A1SIGMAR1KCNH2
SCHEMBL7126258 0.78 KDM4E (0.60) OPRM1OPRL1KDM4EALDH1A1TDP1
SCHEMBL3600517 0.78 OPRM1 (0.75) OPRM1OPRL1OPRD1SIGMAR1
SCHEMBL701266 0.78 OPRM1 (0.75) OPRM1OPRL1ALDH1A1OPRD1SMN1; SMN2
SCHEMBL10529098 0.77 KMT2A (0.55) OPRM1OPRL1ALDH1A1TDP1HPGD

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 494/4885OPRL1 140/4885KDM4E 4617/4885

“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.