SCHEMBL6843620

SCHEMBL6843620

O=C(N1CCCC1)C(CCN1CCC(c2ccccc2O)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.58
OPRD1 P41143 1/20 0.42
CHRM3 P20309 10/20 0.41
CYP2D6 P10635 4/20 0.41
CHRM2 P08172 4/20 0.41
CHRM1 P11229 4/20 0.41
KCNH2 Q12809 3/20 0.41
CHRM4 P08173 2/20 0.41
HTR1A P08908 2/20 0.41
CHRM5 P08912 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
HRH1 P35367 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL6843621 0.87 OPRM1 (0.45) OPRM1OPRD1CHRM3CHRM2CHRM1
SCHEMBL8603796 0.84 OPRM1 (0.58) OPRM1OPRD1SIGMAR1KCNA3
SCHEMBL6841698 0.83 PTGDR2 (0.54) OPRM1OPRD1CHRM3KCNH2
SCHEMBL6841708 0.83 OPRM1 (0.52) OPRM1CHRM3KCNH2HTR1ALMNA
Hydrochloric Acid SCHEMBL8605242 0.83 OPRM1 (0.56) OPRM1CHRM3CYP2D6CHRM2CHRM1
SCHEMBL6842012 0.82 OPRM1 (0.60) OPRM1OPRD1CYP2D6CHRM2CHRM1
SCHEMBL6841131 0.80 OPRM1 (0.51) OPRM1OPRD1CHRM3KCNH2HTR1A
SCHEMBL6841129 0.79 OPRM1 (0.51) OPRM1OPRD1CHRM3KCNH2CHRM4
SCHEMBL6662792 0.79 OPRM1 (0.55) OPRM1OPRD1CYP2D6CHRM2CHRM1
Desmethylmoramide SCHEMBL2111155 0.77 OPRM1 (0.68) OPRM1OPRD1CYP2D6CHRM2CHRM1

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-20040034104-A1 2,2-Diphenylbutanamide derivatives and medicines containing the same SSP CO., LTD. (JP) 2004-02-19 US disclosed
US-20040034078-A1 Benzimidazole inhibitors of poly(ADP-ribosyl) polymerase AGOURON PHARMACEUTICALS, INC. 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-20040034078-A1 Benzimidazole inhibitors of poly(ADP-ribosyl) polymerase PARP1, PARP11, PARP2 OPRM1 4118/4885OPRD1 3673/4885CHRM3 4862/4885
US-20040034104-A1 2,2-Diphenylbutanamide derivatives and medicines containing the same OPRD1, OPRM1, OPRK1 OPRM1 2/4885OPRD1 1/4885CHRM3 343/4885

“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.