SCHEMBL4192004

SCHEMBL4192004

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.41
PDE4A P27815 1/20 0.41
PDE4D Q08499 1/20 0.41
CRHR1 P34998 2/20 0.40
TGFBR1 P36897 2/20 0.39
ACVR1B P36896 1/20 0.39
ACVRL1 P37023 1/20 0.39
CRHR2 Q13324 1/20 0.38
CNR1 P21554 5/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.37
CNR2 P34972 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 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
SCHEMBL4191504 0.93 PDE4B (0.42) PDE4BPDE4APDE4DCRHR1CRHR2
SCHEMBL4185131 0.93 PDE4B (0.41) PDE4BPDE4APDE4DCRHR1CNR1
SCHEMBL13929017 0.90 PDE4B (0.50) PDE4BPDE4APDE4DCRHR1CNR1
SCHEMBL4189964 0.89 KDM5A (0.41) PDE4BPDE4APDE4DCNR1ALDH1A1
SCHEMBL13929015 0.89 KDM5A (0.41) PDE4BPDE4APDE4DCNR1ALDH1A1
SCHEMBL4180078 0.89 PDE4B (0.40) PDE4BPDE4APDE4DCNR1ALDH1A1
SCHEMBL6324273 0.88 PDE4B (0.39) PDE4BPDE4APDE4DCNR1ALDH1A1
SCHEMBL4188761 0.87 PDE4B (0.39) PDE4BPDE4APDE4DCRHR1CRHR2
SCHEMBL5551241 0.86 PDE4B (0.54) PDE4BPDE4APDE4DCRHR1TGFBR1
SCHEMBL4191409 0.85 PDE4B (0.50) PDE4BPDE4APDE4DCRHR1CNR1

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.