SCHEMBL4187186

SCHEMBL4187186

Cc1ccc(C(=O)NC2CCCC(NC(=O)c3cc(F)cnc3OC3CCSCC3)C2)c(OCCO)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.44
PDE4A P27815 1/20 0.44
PDE4D Q08499 1/20 0.44
CNR2 P34972 6/20 0.38
CNR1 P21554 4/20 0.38
ABHD6 Q9BV23 1/20 0.37
ABHD12 Q8N2K0 1/20 0.35
TYK2 P29597 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
OPRK1 P41145 1/20 0.34
JAK2 O60674 1/20 0.33
NTRK1 P04629 1/20 0.33
GRM5 P41594 1/20 0.33
RIPK1 Q13546 1/20 0.33
PLK1 P53350 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
PLK2 Q9NYY3 1/20 0.33

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
SCHEMBL4191409 0.94 PDE4B (0.50) PDE4BPDE4APDE4DCNR2CNR1
SCHEMBL4191242 0.90 PDE4B (0.49) PDE4BPDE4APDE4DCNR2CNR1
SCHEMBL6012130 0.88 CNR2 (0.38) PDE4BPDE4APDE4DCNR2CNR1
SCHEMBL13929017 0.87 PDE4B (0.50) PDE4BPDE4APDE4DCNR2CNR1
SCHEMBL4180093 0.84 PDE4B (0.41) PDE4BPDE4APDE4DCNR2CNR1
SCHEMBL4191504 0.84 PDE4B (0.42) PDE4BPDE4APDE4DCNR2CNR1
SCHEMBL4193045 0.83 PDE4B (0.41) PDE4BPDE4APDE4DCNR2CNR1
SCHEMBL13929015 0.83 KDM5A (0.41) PDE4BPDE4APDE4DCNR2CNR1
SCHEMBL4189964 0.83 KDM5A (0.41) PDE4BPDE4APDE4DCNR2CNR1
SCHEMBL4185131 0.82 PDE4B (0.41) PDE4BPDE4APDE4DCNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US claimed
EP-1651641-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-05-23 EP claimed
US-20050020611-A1 Compounds PFIZER INC. 2005-01-27 US claimed
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
US-20050020611-A1 Compounds PFIZER INC. 2005-01-27 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 (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 719/4885PDE4A 1024/4885PDE4D 1102/4885
US-20090035313-A1 Compounds NQO1, NAMPT, NNT PDE4B 719/4885PDE4A 1024/4885PDE4D 1102/4885

“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.