SCHEMBL871632

SCHEMBL871632

CN(C)C1(C(=O)N[C@H]2CC[C@@H](n3c(=O)c4cc(F)cnc4n(-c4cccc(-c5ccc(C=O)cc5)c4)c3=O)CC2)CC1.CN(C)C1(C(=O)N[C@H]2CC[C@@H](n3c(=O)c4cc(F)cnc4n(-c4cccc(-c5ccc(C=O)cc5)c4)c3=O)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.33
PDE4B Q07343 9/20 0.32
PDE4D Q08499 6/20 0.32
PDE4A P27815 5/20 0.32
PDE4C Q08493 5/20 0.32
KCNH2 Q12809 4/20 0.32
FGFR3 P22607 1/20 0.32
KDR P35968 1/20 0.32
MAP4K4 O95819 1/20 0.32
CNR1 P21554 2/20 0.31
USP7 Q93009 1/20 0.30

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
SCHEMBL3029124 1.00 CNR2 (0.33) CNR2PDE4BPDE4DPDE4APDE4C
SCHEMBL3029130 1.00 CNR2 (0.33) CNR2PDE4BPDE4DPDE4APDE4C
SCHEMBL870928 0.93 PDE4B (0.34) CNR2PDE4BPDE4DPDE4APDE4C
SCHEMBL870927 0.93 PDE4B (0.34) CNR2PDE4BPDE4DPDE4APDE4C
SCHEMBL3029452 0.90 PDE4B (0.36) CNR2PDE4BPDE4DPDE4APDE4C
SCHEMBL870896 0.90 PDE4B (0.36) CNR2PDE4BPDE4DPDE4APDE4C
SCHEMBL3023252 0.88 KCNH2 (0.35) CNR2PDE4BPDE4DPDE4APDE4C
SCHEMBL3023254 0.88 KCNH2 (0.35) CNR2PDE4BPDE4DPDE4APDE4C
SCHEMBL871172 0.88 PDE4B (0.36) CNR2PDE4BPDE4DPDE4APDE4C
SCHEMBL3016783 0.88 PDE4B (0.36) CNR2PDE4BPDE4DPDE4APDE4C

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 CNR2 2229/4885PDE4B 2/4885PDE4D 11/4885

“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.