SCHEMBL6399785

SCHEMBL6399785

C[SiH](C)OC1CCCC(C(C)(C)C)CCCCC1(O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.32
OPRL1 P41146 4/20 0.32
SLC22A1 O15245 3/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 2/20 0.32
CNR2 P34972 2/20 0.32
TSHR P16473 1/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
CNR1 P21554 1/20 0.32
SLC6A9 P48067 4/20 0.31
SLC6A5 Q9Y345 3/20 0.31

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
SCHEMBL5349503 0.74 MAPT (0.43) OPRM1SLC22A1SLC6A2SLC6A4OPRD1
SCHEMBL14842579 0.74 CNR2 (0.40) OPRM1OPRL1SLC22A1SLC6A2SLC6A4
SCHEMBL6400404 0.71 OPRL1 (0.35) OPRM1OPRL1OPRK1MEN1KMT2A
SCHEMBL4818520 0.71 SLC6A2 (0.45) OPRM1SLC22A1SLC6A2SLC6A4OPRD1
SCHEMBL4818516 0.71 SLC6A2 (0.45) OPRM1SLC22A1SLC6A2SLC6A4OPRD1
SCHEMBL588342 0.70 CNR2 (0.41) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL28740691 0.69 SLC6A2 (0.41) OPRM1SLC22A1SLC6A2SLC6A4OPRD1
SCHEMBL8009647 0.66 SLC6A2 (0.40) OPRM1SLC6A2SLC6A4OPRD1OPRK1
SCHEMBL1617743 0.66 OPRL1 (0.49) OPRM1OPRL1OPRD1OPRK1CHRM2
SCHEMBL1617745 0.66 OPRL1 (0.49) OPRM1OPRL1OPRD1OPRK1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949585-B2 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI CO., LTD. (JP) 2005-09-27 US disclosed
US-20040082805-A1 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-04-29 US disclosed
EP-1375465-A9 CYCLOOCTANONE DERIVATIVE AND CYCLODECANONE DERIVATIVE, AND USE THEREOF Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
EP-1375479-A1 PYRROLIDINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Eisai Co., Ltd. (JP) 2004-01-02 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-20040082805-A1 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof CCR1, CCL2, CCR5 OPRM1 977/4885OPRL1 1468/4885SLC22A1 2795/4885

“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.