SCHEMBL6152459

SCHEMBL6152459

Cc1ccc(NC2CC(C)(c3ccc4c(c3)OCO4)OC2=O)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 1/20 0.45
GAA P10253 4/20 0.39
HTT P42858 2/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CFTR P13569 1/20 0.38
PKM P14618 1/20 0.36
CYP2C9 P11712 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6152267 0.87 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL6152274 0.82 MAPT (0.46) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL6295391 0.82 CYP2C9 (0.34) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL6153084 0.77 CYP2C9 (0.36) SMN1; SMN2MAPTALDH1A1KMT2AGAA
SCHEMBL6152524 0.75 CRHBP (0.41) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL6152278 0.75 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL6152990 0.74 NPC1 (0.33) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL6153162 0.74 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL6152446 0.71 NOS3 (0.35) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6152445 0.71 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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 3823/4885SMN1; SMN2 1154/4885

“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.