SCHEMBL4154350

SCHEMBL4154350

Fc1ccc(N2CC[N]CC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.43
CHRNA4 P43681 6/20 0.43
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
MAPT P10636 2/20 0.37
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
POLB P06746 1/20 0.35
DHFR P00374 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL16379150 0.82 MAPT (0.53) CHRNB2CHRNA4DPP4DPP8DPP9
SCHEMBL15047064 0.79 CHRNB2 (0.64) CHRNB2CHRNA4
SCHEMBL17297907 0.77 DPP4 (0.48) CHRNB2CHRNA4DPP4DPP8DPP9
SCHEMBL216663 0.75 ALDH1A1 (0.57) MAPTPOLBDHFRMEN1NPC1
SCHEMBL2447732 0.75 DPP4 (0.39) CHRNB2CHRNA4DPP4DPP8DPP9
SCHEMBL5655553 0.74 CHRNB2 (0.68) CHRNB2CHRNA4
SCHEMBL19497345 0.72 DPP4 (0.44) CHRNB2CHRNA4DPP4DPP8DPP9
SCHEMBL955656 0.72 CCNC (0.47) CHRNB2CHRNA4DPP4DPP8DPP9
SCHEMBL13569786 0.72 DPP4 (0.44) CHRNB2CHRNA4DPP4DPP8DPP9
SCHEMBL955655 0.72 CCNC (0.47) CHRNB2CHRNA4DPP4DPP8DPP9

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 CHRNB2 4841/4885CHRNA4 4856/4885DPP4 514/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ CHRNB2 4841/4885CHRNA4 4856/4885DPP4 514/4885

“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.