SCHEMBL4136939

SCHEMBL4136939

CN1C(=O)[N]C(=O)C12CCN(CC1CC1)CC2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EBP Q15125 6/20 0.39
OPRL1 P41146 10/20 0.38
OPRK1 P41145 9/20 0.38
OPRM1 P35372 8/20 0.38
OPRD1 P41143 4/20 0.37
HSD11B1 P28845 1/20 0.35
BDKRB2 P30411 1/20 0.34
KCNH2 Q12809 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
DRD2 P14416 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
SCHEMBL4137067 0.94 OPRL1 (0.41) EBPOPRL1OPRK1OPRM1OPRD1
SCHEMBL4144097 0.93 OPRL1 (0.46) OPRL1OPRK1OPRM1OPRD1HSD11B1
SCHEMBL4142535 0.81 BDKRB2 (0.35) OPRL1OPRK1OPRM1OPRD1BDKRB2
SCHEMBL4137971 0.77 DRD2 (0.38) OPRL1OPRK1OPRM1OPRD1SIGMAR1
SCHEMBL4144108 0.75 MMP1 (0.32)
SCHEMBL4151607 0.73 OPRK1 (0.35) OPRL1OPRK1OPRM1
SCHEMBL4147170 0.69 HSD17B10 (0.33)
SCHEMBL4137058 0.69 SIGMAR1 (0.39) OPRL1OPRK1OPRM1KCNH2SIGMAR1
SCHEMBL4137481 0.67 MAPT (0.34)
SCHEMBL18202936 0.66 CHRM5 (0.44) OPRL1OPRK1OPRM1KCNH2SIGMAR1

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 EBP 3211/4885OPRL1 1903/4885OPRK1 1354/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ EBP 3211/4885OPRL1 1903/4885OPRK1 1354/4885

“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.