SCHEMBL6152681

SCHEMBL6152681

Cc1cnc(NC2CC(C)(c3cccc4ccccc34)OC2=O)c(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
IGF1R P08069 1/20 0.31
DHFR P00374 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL5774783 0.85 MAPT (0.34) IGF1RKDM4EMAPT
SCHEMBL5774008 0.83 ATM (0.37) DHFRKDM4EMAPTATM
SCHEMBL6153107 0.79 RAB9A (0.35) KDM4EMAPT
SCHEMBL5775592 0.77 KDM4E (0.40) IGF1RKDM4EMAPT
SCHEMBL6152556 0.76 TNKS (0.33) IGF1R
SCHEMBL5777318 0.75 KDM4E (0.37) IGF1RKDM4EMAPT
SCHEMBL5776702 0.74 ALDH1A1 (0.36) MAPT
SCHEMBL5777654 0.74 NFKB1 (0.36) DHFRKDM4EMAPT
SCHEMBL5774660 0.73 KDM4E (0.33) KDM4EMAPT
SCHEMBL5774960 0.72 MAPK14 (0.39) KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943181-B2 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2005-09-13 US claimed
EP-1406610-B1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2005-01-26 EP claimed
US-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2004-09-09 US claimed
EP-1406610-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2004-04-14 EP claimed
WO-2003004016-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2003-01-16 WO claimed
US-6943181-B2 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2005-09-13 US disclosed
EP-1406610-B1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2005-01-26 EP disclosed
US-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2004-09-09 US disclosed
EP-1406610-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2004-04-14 EP disclosed
WO-2003004016-A1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2003-01-16 WO 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-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations BACE1, MYC, APP PDK2 1766/4885PDK4 1540/4885IGF1R 443/4885

“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.