SCHEMBL1398045

SCHEMBL1398045

CCOc1cccc2c1CN(C1CC(=O)NC1=O)C=N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.45
DDB1 Q16531 1/20 0.45
IKZF3 Q9UKT9 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
TP53 P04637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.34
BRD4 O60885 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
SCHEMBL1398064 0.90 NPC1 (0.38) CRBNDDB1IKZF3HTR2AHTR2C
SCHEMBL1398091 0.89 TIPARP (0.38) CRBNDDB1IKZF3PDE3BPDE3A
SCHEMBL1398056 0.88 CREBBP (0.37) CRBNDDB1IKZF3HTR2AHTR2C
SCHEMBL1398095 0.87 CRBN (0.52) CRBNDDB1IKZF3HTTBRD4
SCHEMBL1398058 0.80 ADRA2A (0.31) CRBNDDB1ALDH1A1BRD4KMT2A
SCHEMBL1398052 0.80 MAPT (0.39) CRBNDDB1IKZF3HTR2CHTR2B
SCHEMBL1398063 0.80 CRBN (0.44) CRBNDDB1IKZF3HTR2AHTR2C
SCHEMBL1398032 0.79 CRBN (0.44) CRBNDDB1IKZF3TSHRALDH1A1
SCHEMBL1398069 0.79 CRBN (0.39) CRBNDDB1IKZF3TSHRALDH1A1
SCHEMBL1398075 0.79 LMNA (0.44) CRBNDDB1IKZF3HTTTSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957481-B1 PYRROLIDIN(THI)ONES HETEROCYCLICALLY SUBSTITUTED IN 3-POSITION GRUENENTHAL GMBH (DE) 2011-03-02 EP claimed
US-20080293749-A1 Pyrrolidine(thi)ones Substituted by Heterocyclic Substituents in The 3-Position GRUENENTHAL GMBH (DE) 2008-11-27 US claimed
EP-1957481-B1 PYRROLIDIN(THI)ONES HETEROCYCLICALLY SUBSTITUTED IN 3-POSITION GRUENENTHAL GMBH (DE) 2011-03-02 EP disclosed
US-20080293749-A1 Pyrrolidine(thi)ones Substituted by Heterocyclic Substituents in The 3-Position GRUENENTHAL GMBH (DE) 2008-11-27 US disclosed
EP-1957481-A1 PYRROLIDIN(THI)ONES HETEROCYCLICALLY SUBSTITUTED IN 3-POSITION Grünenthal GmbH (DE) 2008-08-20 EP disclosed
WO-2007062817-A1 PYRROLIDIN(THI)ONES HETEROCYCLICALLY SUBSTITUTED IN 3-POSITION Grünenthal GmbH (DE) 2007-06-07 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-20080293749-A1 Pyrrolidine(thi)ones Substituted by Heterocyclic Substituents in The 3-Position TPMT, MALT1, THPO CRBN 1317/4885DDB1 1517/4885IKZF3 78/4885

“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.