SCHEMBL4137610

SCHEMBL4137610

CCN1C(=O)N(C(=O)OC(C)(C)C)C(=O)C12CCN(C(=O)O)CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.35
NPC1L1 Q9UHC9 2/20 0.35
CCR5 P51681 2/20 0.34
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TACR1 P25103 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
TSHR P16473 2/20 0.32
ALOX15 P16050 1/20 0.32
ATM Q13315 1/20 0.32
DTYMK P23919 1/20 0.31
ACHE P22303 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
SCHEMBL4137608 0.93 USP2 (0.39) USP30NPC1L1CCR5DDB1CRBN
SCHEMBL27078006 0.84 USP30 (0.36) USP30NPC1L1CCR5GRIN2BGRIN2C
SCHEMBL6087981 0.81 USP2 (0.40) USP30NPC1L1CCR5DDB1CRBN
SCHEMBL23288815 0.74 KCNH2 (0.44) NPC1L1DDB1CRBNKDM4EMAPT
SCHEMBL31537379 0.73 EBP (0.53) NPC1L1CCR5SMN1; SMN2
SCHEMBL23288910 0.73 OPRD1 (0.43) USP30NPC1L1CCR5TACR1OPRD1
SCHEMBL4146171 0.72 USP30 (0.39) USP30DDB1CRBNKDM4EMAPT
SCHEMBL6088191 0.72 DDB1 (0.44) NPC1L1CCR5DDB1CRBNKDM4E
SCHEMBL4130653 0.72 CCR5 (0.39) USP30NPC1L1CCR5DDB1CRBN
SCHEMBL23288859 0.71 NPC1L1 (0.40) USP30NPC1L1CCR5KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 US disclosed
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 US disclosed
EP-1423391-B8 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2007-12-12 EP disclosed
EP-1423391-B1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2006-05-17 EP disclosed
US-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2005-03-10 US disclosed
EP-1423391-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES Novartis AG (CH) 2004-06-02 EP disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 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 (2 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-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases CTSK, CTSS, CTSZ USP30 1683/4885NPC1L1 3691/4885CCR5 830/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ USP30 1683/4885NPC1L1 3691/4885CCR5 830/4885

“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.