SCHEMBL6841708

SCHEMBL6841708

O=C(N1CCCC1)C(CCN1CCC(c2ccccc2OCCO)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.52
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
CHRM3 P20309 1/20 0.41
MAPK1 P28482 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
DRD2 P14416 1/20 0.39
CACNA1G O43497 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL6841698 0.89 PTGDR2 (0.54) OPRM1KMT2AMEN1CHRM3PTGDR2
SCHEMBL6841131 0.89 OPRM1 (0.51) OPRM1KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL6841116 0.85 OPRM1 (0.54) OPRM1KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL6843620 0.83 OPRM1 (0.58) OPRM1LMNACHRM3HTR1AKCNH2
SCHEMBL6841129 0.81 OPRM1 (0.51) OPRM1KMT2AMEN1CHRM3DRD2
SCHEMBL8603796 0.77 OPRM1 (0.58) OPRM1
Hydrochloric Acid SCHEMBL8605242 0.75 OPRM1 (0.56) OPRM1CHRM3HTR1AKCNH2
SCHEMBL6841120 0.75 OPRM1 (0.52) OPRM1SMN1; SMN2HTTKMT2AMEN1
SCHEMBL6841483 0.74 OPRM1 (0.55) OPRM1SMN1; SMN2HTTKMT2AMEN1
SCHEMBL6841059 0.72 OPRM1 (0.57) OPRM1SMN1; SMN2HTTKMT2AMEN1

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 2/4885KDM4E 2333/4885ALDH1A1 839/4885

“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.