SCHEMBL6398658

SCHEMBL6398658

O=C1CCCC(CCCc2ccccc2)CCC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.50
SIGMAR1 Q99720 1/20 0.44
CCR5 P51681 1/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL6399379 0.90 CTSS (0.48) OPRM1OPRD1OPRK1
SCHEMBL23554975 0.90 SLC18A3 (0.49) SLC18A3MEN1KMT2A
SCHEMBL16193284 0.86 CYP3A4 (0.43) SLC18A3SIGMAR1
SCHEMBL26629763 0.86 SLC18A3 (0.58) SLC18A3SIGMAR1CCR5OPRM1OPRD1
SCHEMBL7103234 0.86 SLC18A3 (0.62) SLC18A3SIGMAR1CCR5OPRM1OPRD1
SCHEMBL6399518 0.85 CTSS (0.47) OPRM1OPRD1OPRK1
SCHEMBL18800179 0.84 SIGMAR1 (0.43) SLC18A3SIGMAR1
SCHEMBL7419921 0.84 SLC18A3 (0.60) SLC18A3SIGMAR1CCR5OPRM1OPRD1
Ammonia Solution, Strong SCHEMBL20702116 0.84 SLC18A3 (0.56) SLC18A3SIGMAR1CCR5OPRM1OPRD1
SCHEMBL2440428 0.84 SLC18A3 (0.60) SLC18A3SIGMAR1CCR5OPRM1OPRD1

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 SLC18A3 4816/4885SIGMAR1 1365/4885CCR5 3/4885

“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.