SCHEMBL8302736

SCHEMBL8302736

O=C(N[C@H]1CC[C@@H](NC(=O)c2cc(F)cnc2OC2CCSCC2)CC1)c1ccc(O)cc1OCC1CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.43
PDE4A P27815 1/20 0.43
PDE4D Q08499 1/20 0.43
CRHR1 P34998 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 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
SCHEMBL4193943 1.00 PDE4B (0.43) PDE4BPDE4APDE4DCRHR1CYP3A4
SCHEMBL13929026 0.91 PDE4B (0.46) PDE4BPDE4APDE4DCYP3A4CYP2C9
SCHEMBL4188763 0.91 PDE4B (0.46) PDE4BPDE4APDE4DCYP3A4CYP2C9
SCHEMBL13929027 0.89 PDE4B (0.43) PDE4BPDE4APDE4DCNR1CNR2
SCHEMBL4186392 0.89 PDE4B (0.43) PDE4BPDE4APDE4DCNR1CNR2
SCHEMBL13929009 0.89 PDE4B (0.45) PDE4BPDE4APDE4DCYP3A4CYP2C9
SCHEMBL4187256 0.89 PDE4B (0.45) PDE4BPDE4APDE4DCYP3A4CYP2C9
SCHEMBL4184526 0.88 MEN1 (0.41) PDE4BPDE4APDE4DCNR1CNR2
SCHEMBL13929099 0.88 MEN1 (0.41) PDE4BPDE4APDE4DCNR1CNR2
SCHEMBL5546898 0.87 PDE4B (0.47) PDE4BPDE4APDE4DCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
WO-2005009995-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO 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-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.