SCHEMBL4137608

SCHEMBL4137608

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
NPC1L1 Q9UHC9 1/20 0.38
CCR5 P51681 2/20 0.37
DTYMK P23919 1/20 0.37
USP30 Q70CQ3 1/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
GPR119 Q8TDV5 3/20 0.35
TACR1 P25103 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL4137610 0.93 USP30 (0.35) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL6087981 0.88 USP2 (0.40) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL23288815 0.81 KCNH2 (0.44) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL31537379 0.79 EBP (0.53) SMN1; SMN2NPC1L1CCR5GPR119
SCHEMBL6088191 0.79 DDB1 (0.44) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL4130653 0.79 CCR5 (0.39) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL23288859 0.78 NPC1L1 (0.40) KDM4ENPC1L1CCR5USP30ALOX15
SCHEMBL23288910 0.77 OPRD1 (0.43) NPC1L1CCR5USP30ALOX15TSHR
SCHEMBL30328381 0.77 KCNH2 (0.59) MAPTNPC1L1GPR119TACR1
SCHEMBL12949224 0.76 ROCK2 (0.44) SMN1; SMN2KDM4EMAPTTHRBTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021078132-A1 INHIBITORS OF MTOR-MEDIATED INDUCTION OF AUTOPHAGY SIRONAX LTD (GB) 2021-04-29 WO disclosed
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 US disclosed
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 US disclosed
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
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 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
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 USP2 1864/4885SMN1; SMN2 4708/4885KDM4E 2382/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ USP2 1864/4885SMN1; SMN2 4708/4885KDM4E 2382/4885

“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.