SCHEMBL1398034

SCHEMBL1398034

O=C1CC(N2C=Nc3cccc(Br)c3C2)C(=O)N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 10/20 0.35
RAB9A P51151 1/20 0.34
DDB1 Q16531 7/20 0.33
IKZF3 Q9UKT9 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CHRM2 P08172 1/20 0.33
OPRM1 P35372 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
IDO1 P14902 1/20 0.32
BRD4 O60885 1/20 0.32
TNF P01375 1/20 0.32
IL1B P01584 1/20 0.32
IKZF1 Q13422 1/20 0.32
TRPA1 O75762 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
BCL2L11 O43521 1/20 0.31
BCL2 P10415 1/20 0.31

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
SCHEMBL1398032 0.85 CRBN (0.44) CRBNRAB9ADDB1IKZF3ALDH1A1
SCHEMBL1398048 0.85 CRBN (0.39) CRBNRAB9ADDB1IKZF3ALDH1A1
SCHEMBL1398147 0.85 CRBN (0.44) CRBNRAB9ADDB1IKZF3ALDH1A1
SCHEMBL1398069 0.85 CRBN (0.39) CRBNRAB9ADDB1IKZF3ALDH1A1
SCHEMBL1398075 0.85 LMNA (0.44) CRBNRAB9ADDB1IKZF3ALDH1A1
Hydrochloric Acid SCHEMBL1398149 0.84 CRBN (0.44) CRBNRAB9ADDB1IKZF3ALDH1A1
Hydrochloric Acid SCHEMBL1398070 0.84 CRBN (0.43) CRBNRAB9ADDB1IKZF3ALDH1A1
SCHEMBL1398056 0.82 CREBBP (0.37) CRBNDDB1IKZF3ALDH1A1TSHR
SCHEMBL1398107 0.82 CRBN (0.44) CRBNRAB9ADDB1IKZF3ALDH1A1
SCHEMBL1398054 0.80 CRBN (0.44) CRBNRAB9ADDB1IKZF3ALDH1A1

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 8 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-A1 PYRROLIDIN(THI)ONES HETEROCYCLICALLY SUBSTITUTED IN 3-POSITION Grünenthal GmbH (DE) 2008-08-20 EP claimed
WO-2007062817-A1 PYRROLIDIN(THI)ONES HETEROCYCLICALLY SUBSTITUTED IN 3-POSITION Grünenthal GmbH (DE) 2007-06-07 WO 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 1317/4885RAB9A 1269/4885DDB1 1517/4885

“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.