SCHEMBL871670

SCHEMBL871670

CC(C)(C)N(C(=O)O)C1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4cccc(O)c4CN4CCOCC4)c3)c2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.34
CNR2 P34972 5/20 0.34
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
CNR1 P21554 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
KLK7 P49862 1/20 0.32
HSD17B10 Q99714 1/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 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
SCHEMBL871669 1.00 PDE4B (0.34) PDE4BCNR2MAPK8MAPK9CYP2C9
SCHEMBL871671 0.91 METAP2 (0.40) PDE4BCNR2CYP2C9CYP2C19CYP3A4
SCHEMBL871672 0.91 METAP2 (0.40) PDE4BCNR2CYP2C9CYP2C19CYP3A4
SCHEMBL872270 0.89 PDE4B (0.42) PDE4BCNR2CYP2C9CYP2C19CYP3A4
SCHEMBL872271 0.89 PDE4B (0.42) PDE4BCNR2CYP2C9CYP2C19CYP3A4
SCHEMBL13853415 0.88 CNR2 (0.38) PDE4BCNR2MAPK8MAPK9CYP2C9
SCHEMBL871889 0.87 PDE4B (0.35) PDE4BCNR2MAPK8MAPK9CYP2C9
SCHEMBL871890 0.87 PDE4B (0.35) PDE4BCNR2MAPK8MAPK9CYP2C9
SCHEMBL3016764 0.86 PDE4B (0.42) PDE4BCNR2CYP2C9CYP2C19CYP3A4
SCHEMBL3016757 0.86 PDE4B (0.42) PDE4BCNR2CYP2C9CYP2C19CYP3A4

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 2/4885CNR2 2229/4885MAPK8 832/4885

“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.