SCHEMBL4191409

SCHEMBL4191409

Cc1ccc(C(=O)NC2CCC(NC(=O)c3cc(F)cnc3OC3CCSCC3)CC2)c(OCCO)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.50
PDE4D Q08499 2/20 0.50
PDE4A P27815 1/20 0.50
CNR2 P34972 3/20 0.38
CNR1 P21554 1/20 0.38
ABHD6 Q9BV23 1/20 0.37
CRHR1 P34998 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
KCNH2 Q12809 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
SCHEMBL4191242 0.96 PDE4B (0.49) PDE4BPDE4DPDE4ACNR2CNR1
SCHEMBL4187186 0.94 PDE4B (0.44) PDE4BPDE4DPDE4ACNR2CNR1
SCHEMBL13929017 0.93 PDE4B (0.50) PDE4BPDE4DPDE4ACNR2CNR1
SCHEMBL4180093 0.90 PDE4B (0.41) PDE4BPDE4DPDE4ACNR2CNR1
SCHEMBL4191504 0.90 PDE4B (0.42) PDE4BPDE4DPDE4ACNR2CNR1
SCHEMBL4193045 0.90 PDE4B (0.41) PDE4BPDE4DPDE4ACNR2CNR1
SCHEMBL4189964 0.89 KDM5A (0.41) PDE4BPDE4DPDE4ACNR2CNR1
SCHEMBL13929015 0.89 KDM5A (0.41) PDE4BPDE4DPDE4ACNR2CNR1
SCHEMBL4185131 0.88 PDE4B (0.41) PDE4BPDE4DPDE4ACNR2CNR1
SCHEMBL6323279 0.86 CNR2 (0.44) CNR2CNR1TAS1R3TAS1R1TAS1R2

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-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US claimed
US-20050020611-A1 Compounds PFIZER INC. 2005-01-27 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20050020611-A1 Compounds NQO1, NAMPT, NNT PDE4B 719/4885PDE4D 1102/4885PDE4A 1024/4885
US-20090035313-A1 Compounds NQO1, NAMPT, NNT PDE4B 719/4885PDE4D 1102/4885PDE4A 1024/4885

“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.