SCHEMBL4138183

SCHEMBL4138183

O=C1[N]C(=O)C2(CCN(Cc3ccc(F)cc3)CC2)O1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.54
DRD2 P14416 5/20 0.54
GRIN2D O15399 3/20 0.54
GRIN3B O60391 3/20 0.54
GRIN1 Q05586 3/20 0.54
GRIN2A Q12879 3/20 0.54
GRIN2B Q13224 3/20 0.54
GRIN2C Q14957 3/20 0.54
GRIN3A Q8TCU5 3/20 0.54
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CCR3 P51677 1/20 0.43

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
SCHEMBL4151133 0.88 SIGMAR1 (0.45) SIGMAR1DRD2GRIN2DGRIN3BGRIN1
SCHEMBL14774848 0.73 DRD2 (0.50) SIGMAR1DRD2GRIN2DGRIN3BGRIN1
SCHEMBL4144978 0.73 ALDH1A1 (0.46) SIGMAR1DRD2GRIN2DGRIN3BGRIN1
SCHEMBL1507019 0.71 HRH3 (0.52) SIGMAR1DRD2GRIN2DGRIN3BGRIN1
SCHEMBL8117468 0.70 MAPT (0.67) SIGMAR1
SCHEMBL3780476 0.69 HRH3 (0.56) SIGMAR1DRD2GRIN2DGRIN3BGRIN1
SCHEMBL11278990 0.69 SIGMAR1 (0.60) SIGMAR1DRD2GRIN2DGRIN3BGRIN1
SCHEMBL2794745 0.68 TACR1 (0.55) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL11888852 0.67 ALDH1A1 (0.56) ALDH1A1
SCHEMBL2359969 0.67 SIGMAR1 (0.73) SIGMAR1DRD2GRIN2DGRIN3BGRIN1

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 SIGMAR1 4770/4885DRD2 4870/4885GRIN2D 4760/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ SIGMAR1 4770/4885DRD2 4870/4885GRIN2D 4760/4885

“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.