SCHEMBL6841129

SCHEMBL6841129

CC(=O)OC(C)Oc1ccccc1C1CCN(CCC(C(=O)N2CCCC2)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.51
CACNA1G O43497 1/20 0.41
KCNH2 Q12809 1/20 0.41
DRD2 P14416 1/20 0.39
SLC18A3 Q16572 2/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
OPRD1 P41143 1/20 0.37
CHRM4 P08173 1/20 0.36
CHRM3 P20309 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
DRD4 P21917 1/20 0.35

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
SCHEMBL6841131 0.83 OPRM1 (0.51) OPRM1CACNA1GKCNH2DRD2SLC18A3
SCHEMBL6841698 0.82 PTGDR2 (0.54) OPRM1CACNA1GKCNH2DRD2MEN1
SCHEMBL6841708 0.81 OPRM1 (0.52) OPRM1CACNA1GKCNH2DRD2MEN1
SCHEMBL6843620 0.79 OPRM1 (0.58) OPRM1KCNH2OPRD1CHRM4CHRM3
SCHEMBL8603796 0.73 OPRM1 (0.58) OPRM1SLC18A3OPRD1HRH3
Hydrochloric Acid SCHEMBL8605242 0.71 OPRM1 (0.56) OPRM1KCNH2SLC18A3CHRM4CHRM3
SCHEMBL6841059 0.71 OPRM1 (0.57) OPRM1CACNA1GKCNH2DRD2MEN1
SCHEMBL6841120 0.70 OPRM1 (0.52) OPRM1CACNA1GKCNH2DRD2SLC18A3
Desmethylmoramide SCHEMBL2111155 0.69 OPRM1 (0.68) OPRM1KCNH2MEN1KMT2AOPRD1
SCHEMBL6841483 0.69 OPRM1 (0.55) OPRM1CACNA1GKCNH2DRD2MEN1

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-20040034104-A1 2,2-Diphenylbutanamide derivatives and medicines containing the same SSP CO., LTD. (JP) 2004-02-19 US disclosed
EP-1325912-A1 2,2-DIPHENYLBUTANAMIDE DERIVATIVES AND MEDICINES CONTAINING THE SAME SSP Co., Ltd. (JP) 2003-07-09 EP 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-20040034104-A1 2,2-Diphenylbutanamide derivatives and medicines containing the same OPRD1, OPRM1, OPRK1 OPRM1 2/4885CACNA1G 122/4885KCNH2 326/4885

“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.