SCHEMBL6152033

SCHEMBL6152033

Cc1ccnc(NC2CC(C)(c3ccc(C)cc3C)OC2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.38
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
PDE10A Q9Y233 1/20 0.33
NPC1 O15118 5/20 0.32
RAB9A P51151 5/20 0.32
PKM P14618 2/20 0.32
FDPS P14324 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 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
SCHEMBL6152837 0.85 NOS3 (0.33) LMNANOS3NOS2SMN1; SMN2NPC1
SCHEMBL6152445 0.83 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1LMNANOS3
SCHEMBL6152057 0.81 MEN1 (0.41) ALDH1A1KDM4EL3MBTL1LMNANOS3
SCHEMBL6152911 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1LMNANOS3
SCHEMBL6152046 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1LMNANOS3
SCHEMBL6152448 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1LMNANOS3
SCHEMBL6152501 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1LMNANOS3
SCHEMBL6152267 0.78 NPC1 (0.47) ALDH1A1KDM4EL3MBTL1LMNASMN1; SMN2
SCHEMBL6152078 0.77 NPC1 (0.46) ALDH1A1KDM4EL3MBTL1LMNANOS3
SCHEMBL6153174 0.77 KDM4E (0.47) ALDH1A1KDM4EL3MBTL1LMNANOS3

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 ALDH1A1 4494/4885KDM4E 3918/4885L3MBTL1 2151/4885

“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.