SCHEMBL6152274

SCHEMBL6152274

Cc1cccc(NC2CC(C)(c3ccc4c(c3)OCO4)OC2=O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 4/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
PKM P14618 1/20 0.40
USP2 O75604 3/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HTT P42858 2/20 0.37
TGFBR1 P36897 2/20 0.35
CFTR P13569 4/20 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
SCHEMBL6152459 0.82 NPC1 (0.49) MAPTNPC1RAB9AKDM4EHPGD
SCHEMBL6152267 0.82 NPC1 (0.47) MAPTNPC1RAB9AKDM4EHPGD
SCHEMBL6295391 0.81 CYP2C9 (0.34) MAPTKDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL6152064 0.74 SMN1; SMN2 (0.39) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL6153084 0.74 CYP2C9 (0.36) MAPTALDH1A1SMN1; SMN2HTTCFTR
SCHEMBL6152524 0.74 CRHBP (0.41) MAPTNPC1RAB9AHPGDALDH1A1
SCHEMBL6152990 0.73 NPC1 (0.33) MAPTNPC1RAB9AKDM4EHPGD
SCHEMBL6153509 0.73 PHGDH (0.38) KDM4EHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL6152633 0.72 NOS3 (0.33) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL6152278 0.72 ALDH1A1 (0.45) MAPTNPC1RAB9AKDM4EHPGD

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 MAPT 208/4885NPC1 2247/4885RAB9A 3823/4885

“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.