SCHEMBL6152452

SCHEMBL6152452

Cc1cc(C)nc(NC2CC(C)(c3cccc(Cl)c3)OC2=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 6/20 0.37
CBLB Q13191 1/20 0.37
IDH1 O75874 1/20 0.36
CHRNA1 P02708 2/20 0.35
CHRNG P07510 2/20 0.35
CHRNB1 P11230 2/20 0.35
CHRNB2 P17787 2/20 0.35
SLC6A2 P23975 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA4 P43681 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CHRND Q07001 2/20 0.35
SLC6A4 P31645 1/20 0.35
HSD11B1 P28845 1/20 0.34
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PFKFB3 Q16875 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL6152064 0.90 SMN1; SMN2 (0.39) PHGDHCBLBCHRNA1CHRNGCHRNB1
SCHEMBL6152271 0.86 MAPT (0.41) PHGDHCBLBCHRNA1CHRNGCHRNB1
SCHEMBL6152446 0.85 NOS3 (0.35) PHGDHCBLBIDH1SLC6A2SLC6A3
SCHEMBL6152508 0.84 NOS3 (0.36) PHGDHNPC1RAB9AKMT2AMAPK1
SCHEMBL6153509 0.84 PHGDH (0.38) PHGDHCBLBSLC6A2SLC6A3SLC6A4
SCHEMBL6152633 0.84 NOS3 (0.33) CBLBALDH1A1KDM4EMEN1NPC1
SCHEMBL6153002 0.82 PDE2A (0.36) PHGDHIDH1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6152460 0.82 NOS3 (0.33) ALDH1A1KDM4EMEN1NPC1RAB9A
SCHEMBL6152284 0.81 PHGDH (0.31) PHGDHCBLB
SCHEMBL6152465 0.80 MAPT (0.40) PHGDHSLC6A4ALDH1A1KDM4ENPC1

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 11 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
EP-1500741-A1 Labelled fibres and immunochemical methods for their revelation Bartholdy-Consultadoria e Servicos Lda (PT) 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 PHGDH 413/4885CBLB 4202/4885IDH1 1775/4885

“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.