SCHEMBL870877

SCHEMBL870877

CC(C)(C)CNCc1ccc(-c2cccc(-n3c(=O)n([C@H]4CC[C@@H](NC(=O)c5cn6c(n5)CCCC6)CC4)c(=O)c4cc(F)cnc43)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.38
PDE4A P27815 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CNR2 P34972 2/20 0.34
KCNH2 Q12809 1/20 0.33
TTK P33981 1/20 0.32
WDR5 P61964 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL872679 0.92 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DHDAC1
SCHEMBL3024938 0.91 PDE4B (0.37) PDE4BPDE4APDE4CPDE4DHDAC1
SCHEMBL871169 0.91 PDE4B (0.37) PDE4BPDE4APDE4CPDE4DHDAC1
SCHEMBL870779 0.91 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DHDAC1
SCHEMBL3018897 0.90 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DHDAC1
SCHEMBL872077 0.90 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DHDAC1
SCHEMBL3025265 0.90 PDE4B (0.36) PDE4BPDE4APDE4CPDE4DHDAC1
SCHEMBL3016650 0.90 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DHDAC1
SCHEMBL3016653 0.90 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DHDAC1
SCHEMBL870918 0.89 PDE4B (0.44) PDE4BHDAC1HDAC2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885PDE4A 1/4885PDE4C 7/4885

“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.