SCHEMBL6152039

SCHEMBL6152039

CCCc1cccc(NC2CC(C)(c3cccc(Cl)c3)OC2=O)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 7/20 0.37
CHRNB1 P11230 7/20 0.37
CHRNB2 P17787 7/20 0.37
SLC6A2 P23975 7/20 0.37
CHRNB4 P30926 7/20 0.37
CHRNA3 P32297 7/20 0.37
CHRNA4 P43681 7/20 0.37
SLC6A3 Q01959 7/20 0.37
SLC6A4 P31645 6/20 0.37
CHRNG P07510 5/20 0.37
CHRND Q07001 5/20 0.37
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
SYK P43405 1/20 0.33
KCNH2 Q12809 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
HSD11B1 P28845 1/20 0.32
MAPT P10636 2/20 0.32
HCAR3 P49019 1/20 0.32

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
SCHEMBL6152564 0.82 PTGER2 (0.31) SYKKCNH2
SCHEMBL6153490 0.80 ELANE (0.32) SLC6A2SLC6A3SLC6A4SYKKCNH2
SCHEMBL6152452 0.79 PHGDH (0.37) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL6152473 0.78 KCNH2 (0.36) SLC6A2SLC6A3SLC6A4CTSKSYK
SCHEMBL5773915 0.77 HSD11B1 (0.43) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL5775507 0.77 HSD11B1 (0.38) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL5775758 0.77 HSD11B1 (0.38) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL5773782 0.74 HSD11B1 (0.36) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL5774683 0.73 HSD11B1 (0.38) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4
SCHEMBL6153194 0.69 DDB1 (0.47) CHRNA1CHRNB1CHRNB2SLC6A2CHRNB4

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 CHRNA1 2150/4885CHRNB1 2607/4885CHRNB2 2376/4885

“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.