SCHEMBL13627381

SCHEMBL13627381

CCC1CC(Oc2nc(-n3ccnc3)nc3ccccc23)CN1CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 0.45
TBXAS1 P24557 3/20 0.43
PDE3B Q13370 3/20 0.43
PDE3A Q14432 3/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 3/20 0.36
TP53 P04637 2/20 0.36
HTT P42858 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL14877544 0.80 PDE5A (0.45) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL12237069 0.79 MEN1 (0.44) PDE5AMEN1KMT2ATSHRALDH1A1
SCHEMBL13613141 0.77 PDE5A (0.43) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL8277166 0.76 PDE5A (0.42) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL10058625 0.75 RAB9A (0.44) LMNAMEN1KMT2ATSHRHRH4
SCHEMBL10058619 0.73 HCRTR2 (0.43) HRH4
SCHEMBL12849164 0.69 SLC6A2 (0.44) SMN1; SMN2
SCHEMBL8302217 0.69 PDE5A (0.59) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL10316084 0.68 PDE5A (0.59) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL13627669 0.68 MEN1 (0.42) PDE3BPDE3AMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291902-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-26 US disclosed
US-7208600-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-24 US 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 (1 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-20090291902-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 PDE5A 1343/4885TBXAS1 2416/4885PDE3B 996/4885

“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.