SCHEMBL6152267

SCHEMBL6152267

Cc1ccnc(NC2CC(C)(c3ccc4c(c3)OCO4)OC2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
PKM P14618 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
GAA P10253 3/20 0.46
ALDH1A1 P00352 4/20 0.38
HTT P42858 3/20 0.38
KDM4E B2RXH2 3/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.35
GSK3B P49841 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL6152459 0.87 NPC1 (0.49) NPC1RAB9APKMSMN1; SMN2GAA
SCHEMBL6152445 0.85 ALDH1A1 (0.40) NPC1RAB9APKMSMN1; SMN2GAA
SCHEMBL6152057 0.83 MEN1 (0.41) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL6152911 0.82 ALDH1A1 (0.40) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL6152274 0.82 MAPT (0.46) NPC1RAB9APKMSMN1; SMN2GAA
SCHEMBL6152046 0.81 ALDH1A1 (0.44) NPC1RAB9APKMSMN1; SMN2GAA
SCHEMBL6295391 0.81 CYP2C9 (0.34) SMN1; SMN2GAAALDH1A1HTTKDM4E
SCHEMBL6152448 0.81 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6152501 0.80 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL6153174 0.79 KDM4E (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1HTT

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 NPC1 2247/4885RAB9A 3823/4885PKM 2250/4885

“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.