SCHEMBL4185131

SCHEMBL4185131

O=C(NC1CCC(NC(=O)c2cc(F)cnc2OC2CCSCC2)CC1)c1cc(F)ccc1OCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.41
PDE4A P27815 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
HPGD P15428 1/20 0.38
JAK2 O60674 2/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
GPR6 P46095 3/20 0.37
NTRK1 P04629 1/20 0.37
HTR7 P34969 2/20 0.37
CRHR1 P34998 1/20 0.37
MAP4K4 O95819 1/20 0.36
AR P10275 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR6 P50406 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
SCHEMBL13929015 0.94 KDM5A (0.41) PDE4BPDE4APDE4DALDH1A1CNR1
SCHEMBL4189964 0.94 KDM5A (0.41) PDE4BPDE4APDE4DALDH1A1CNR1
SCHEMBL13929017 0.93 PDE4B (0.50) PDE4BPDE4APDE4DALDH1A1POLB
SCHEMBL4192004 0.93 PDE4B (0.41) PDE4BPDE4APDE4DALDH1A1POLB
SCHEMBL4180078 0.92 PDE4B (0.40) PDE4BPDE4APDE4DALDH1A1POLB
SCHEMBL6324273 0.91 PDE4B (0.39) PDE4BPDE4APDE4DALDH1A1POLB
SCHEMBL13929021 0.90 PDE4B (0.40) PDE4BPDE4APDE4DALDH1A1CNR1
SCHEMBL4193962 0.90 PDE4B (0.40) PDE4BPDE4APDE4DALDH1A1CNR1
SCHEMBL4191504 0.88 PDE4B (0.42) PDE4BPDE4APDE4DCNR1CNR2
SCHEMBL4191409 0.88 PDE4B (0.50) PDE4BPDE4APDE4DCNR1CNR2

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 719/4885PDE4A 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.