SCHEMBL4137067

SCHEMBL4137067

CN1C(=O)[N]C(=O)C12CCN(CC1CCC1)CC2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 12/20 0.41
OPRK1 P41145 10/20 0.41
OPRM1 P35372 10/20 0.41
OPRD1 P41143 4/20 0.41
BDKRB2 P30411 1/20 0.38
EBP Q15125 2/20 0.38
DRD2 P14416 3/20 0.38
SIGMAR1 Q99720 3/20 0.38
CHRM5 P08912 1/20 0.37
ADRA2C P18825 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL4144097 0.96 OPRL1 (0.46) OPRL1OPRK1OPRM1OPRD1BDKRB2
SCHEMBL4136939 0.94 EBP (0.39) OPRL1OPRK1OPRM1OPRD1BDKRB2
SCHEMBL4142535 0.78 BDKRB2 (0.35) OPRL1OPRK1OPRM1OPRD1BDKRB2
SCHEMBL4137971 0.75 DRD2 (0.38) OPRL1OPRK1OPRM1OPRD1DRD2
SCHEMBL4144108 0.72 MMP1 (0.32) ACHE
SCHEMBL4151607 0.70 OPRK1 (0.35) OPRL1OPRK1OPRM1
SCHEMBL4147170 0.67 HSD17B10 (0.33)
SCHEMBL8393938 0.64 GRM2 (0.35) OPRL1OPRK1OPRM1OPRD1CHRM5
SCHEMBL4137058 0.64 SIGMAR1 (0.39) OPRL1OPRK1OPRM1DRD2SIGMAR1
SCHEMBL2616300 0.64 CHRM5 (0.56) OPRL1OPRM1SIGMAR1CHRM5ADRA2C

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 OPRL1 1903/4885OPRK1 1354/4885OPRM1 4030/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ OPRL1 1903/4885OPRK1 1354/4885OPRM1 4030/4885

“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.