SCHEMBL6153002

SCHEMBL6153002

Cc1cc(C)nc(NC2CC(C)(c3ccc(C(C)C)cc3)OC2=O)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.36
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DRD3 P35462 5/20 0.32
KCNH2 Q12809 5/20 0.32
DRD2 P14416 4/20 0.32
PHGDH O43175 1/20 0.32
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
KDM4E B2RXH2 1/20 0.31
IDH1 O75874 2/20 0.31
MMP9 P14780 1/20 0.30
LCK P06239 1/20 0.30

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
SCHEMBL6152446 0.90 NOS3 (0.35) ALDH1A1SMN1; SMN2KCNH2PHGDHNOS3
SCHEMBL6152460 0.87 NOS3 (0.33) ALDH1A1SMN1; SMN2NOS3NOS2KDM4E
SCHEMBL6152508 0.85 NOS3 (0.36) SMN1; SMN2PHGDHNOS3NOS2LCK
SCHEMBL6152273 0.85 PDE2A (0.36) PDE2AALDH1A1SMN1; SMN2PHGDHNOS3
SCHEMBL6153509 0.85 PHGDH (0.38) ALDH1A1SMN1; SMN2KCNH2PHGDHNOS3
SCHEMBL6152619 0.85 PHGDH (0.40) ALDH1A1PHGDHKDM4E
SCHEMBL6152633 0.85 NOS3 (0.33) ALDH1A1SMN1; SMN2NOS3NOS2KDM4E
SCHEMBL6152680 0.83 LMNA (0.38) ALDH1A1SMN1; SMN2KCNH2PHGDHNOS3
SCHEMBL6152064 0.83 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2PHGDHNOS3NOS2
SCHEMBL6152577 0.82 MMP2 (0.36) ALDH1A1SMN1; SMN2PHGDHKDM4EMMP9

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 PDE2A 3142/4885ALDH1A1 4494/4885SMN1; 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.