SCHEMBL6153941

SCHEMBL6153941

CN(c1ccc(C(N)=O)cc1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.68
OPRD1 P41143 3/20 0.68
OPRK1 P41145 2/20 0.68
GAA P10253 1/20 0.62
CHRM2 P08172 11/20 0.56
CHRM3 P20309 11/20 0.56
SIGMAR1 Q99720 1/20 0.55
CHRM4 P08173 1/20 0.54

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
SCHEMBL21375648 0.84 SIGMAR1 (0.60) OPRM1CHRM2CHRM3SIGMAR1
SCHEMBL4260839 0.82 GAA (0.60) OPRM1OPRD1OPRK1GAACHRM2
SCHEMBL3041150 0.81 LTA4H (0.68) OPRD1CHRM2CHRM3CHRM4
SCHEMBL6156880 0.80 CHRM2 (0.54) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL27473621 0.79 SIGMAR1 (0.65) OPRM1CHRM2CHRM3SIGMAR1
SCHEMBL6070072 0.78 GAA (0.70) OPRM1OPRD1OPRK1GAACHRM4
SCHEMBL6154064 0.78 GAA (0.70) OPRK1GAA
SCHEMBL1869809 0.78 CHRM2 (0.64) CHRM2CHRM3SIGMAR1
SCHEMBL8230948 0.77 HDAC1 (0.54) OPRM1OPRD1OPRK1GAACHRM4
SCHEMBL6153849 0.77 GAA (1.00) GAA

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-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 US disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 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-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 OPRM1 1474/4885OPRD1 1102/4885OPRK1 947/4885

“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.