SCHEMBL6841483

SCHEMBL6841483

CN(C)C(=O)C(CCN1CCC(c2ccccc2OCC(=O)O)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.55
PTGDR2 Q9Y5Y4 1/20 0.51
DRD3 P35462 9/20 0.48
DRD2 P14416 9/20 0.48
DRD4 P21917 6/20 0.48
OPRD1 P41143 3/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.48
ADRB2 P07550 2/20 0.48
ADRA2A P08913 2/20 0.48
SLC6A4 P31645 2/20 0.48
OPRK1 P41145 2/20 0.48
HTR2B P41595 2/20 0.48
SLC6A3 Q01959 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
SCN1A P35498 2/20 0.48
SCN2A Q99250 2/20 0.48
SCN3A Q9NY46 2/20 0.48

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
SCHEMBL6841116 0.89 OPRM1 (0.54) OPRM1DRD3DRD2DRD4OPRD1
SCHEMBL6841059 0.89 OPRM1 (0.57) OPRM1DRD3DRD2DRD4OPRD1
SCHEMBL6841120 0.87 OPRM1 (0.52) OPRM1DRD3DRD2DRD4OPRD1
SCHEMBL6842015 0.85 OPRM1 (0.54) OPRM1DRD3DRD2DRD4OPRD1
SCHEMBL6841698 0.84 PTGDR2 (0.54) OPRM1PTGDR2DRD2OPRD1MEN1
SCHEMBL6842012 0.83 OPRM1 (0.60) OPRM1DRD3DRD2DRD4OPRD1
SCHEMBL6841504 0.82 OPRM1 (0.66) OPRM1DRD3DRD2DRD4OPRD1
SCHEMBL6842023 0.82 OPRM1 (0.54) OPRM1DRD3DRD2DRD4OPRD1
SCHEMBL6425299 0.80 OPRM1 (0.62) OPRM1DRD3DRD2DRD4OPRD1
SCHEMBL2221753 0.79 OPRM1 (0.71) OPRM1DRD3DRD2DRD4OPRD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102430-A1 Drug delivery systems for photodynamic therapy CHOWDHARY RUBINAH K (CA) 2004-05-27 US disclosed
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 (2 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 2/4885PTGDR2 127/4885DRD3 95/4885
US-20040102430-A1 Drug delivery systems for photodynamic therapy PIN1, PPOX, DHFR OPRM1 4625/4885PTGDR2 1299/4885DRD3 3691/4885

“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.