SCHEMBL6400581

SCHEMBL6400581

O=C1CCCC(=Cc2ccccn2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.50
IKBKB O14920 3/20 0.50
RAF1 P04049 3/20 0.50
RPS6KB1 P23443 3/20 0.50
AKT1 P31749 3/20 0.50
AKT2 P31751 3/20 0.50
KDR P35968 3/20 0.50
MAPKAPK2 P49137 3/20 0.50
PRKAG1 P54619 3/20 0.50
MAP2K1 Q02750 3/20 0.50
PRKAA1 Q13131 3/20 0.50
NEK1 Q96PY6 3/20 0.50
PRKAB1 Q9Y478 3/20 0.50
PRDX1 Q06830 1/20 0.50
MAPK14 Q16539 1/20 0.50
MIF P14174 2/20 0.48
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46

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
SCHEMBL28054895 0.87 NPC1 (0.54) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL8889644 0.85 NPC1 (0.52) MAPK1IKBKBRAF1RPS6KB1AKT1
Cyclopentanone SCHEMBL28852100 0.79 NPC1 (0.48) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL6398530 0.79 MAPK1 (0.47) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL6397809 0.79 MAPK1 (0.47) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL6398533 0.79 MAPK1 (0.47) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL12948680 0.77 MAPK1 (0.70) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL6403613 0.77 NPC1 (0.42) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL625689 0.76 MAPK1 (0.58) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL15051734 0.75 MAPK1 (0.53) MAPK1IKBKBRAF1RPS6KB1AKT1

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 MAPK1 1166/4885IKBKB 886/4885RAF1 2109/4885

“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.