SCHEMBL869859

SCHEMBL869859

CN(C(=O)OC(C)(C)C)C1CCN(Cc2ccc(-c3cccc(-n4c(=O)n([C@H]5CC[C@@H](NC(=O)c6cn7cc(F)ccc7n6)CC5)c(=O)c5cc(F)cnc54)c3)cc2)CC1.O=Cc1ccc(-c2cccc(-n3c(=O)n([C@H]4CC[C@@H](NC(=O)c5cn6cc(F)ccc6n5)CC4)c(=O)c4cc(F)cnc43)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.46
CNR2 P34972 3/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 2/20 0.34
CNR1 P21554 1/20 0.34
PRKAA2 P54646 2/20 0.33
LMNA P02545 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
SCHEMBL10271507 0.96 PDE4B (0.48) PDE4BCNR2KDM4ESMN1; SMN2HSD17B10
SCHEMBL870809 0.87 PDE4B (0.50) PDE4BKDM4ESMN1; SMN2HSD17B10TP53
SCHEMBL870810 0.87 PDE4B (0.50) PDE4BKDM4ESMN1; SMN2HSD17B10TP53
SCHEMBL870026 0.86 PDE4B (0.45) PDE4BCNR2CNR1
SCHEMBL870027 0.86 PDE4B (0.45) PDE4BCNR2CNR1
SCHEMBL3022989 0.85 PDE4B (0.52) PDE4BCNR2KDM4ESMN1; SMN2HSD17B10
SCHEMBL3022993 0.85 PDE4B (0.52) PDE4BCNR2KDM4ESMN1; SMN2HSD17B10
SCHEMBL870912 0.85 PDE4B (0.44) PDE4BCNR2CNR1
SCHEMBL3032429 0.85 PDE4B (0.52) PDE4BCNR2KDM4ESMN1; SMN2HSD17B10
SCHEMBL3032431 0.85 PDE4B (0.52) PDE4BCNR2KDM4ESMN1; SMN2HSD17B10

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 2229/4885KDM4E 1494/4885

“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.