SCHEMBL6013713

SCHEMBL6013713

O=C(NC1CCC(NC(=O)c2cc(Cl)cc(Cl)c2O)CC1)c1cc(F)cnc1OC1CCSCC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.44
PDE4A P27815 1/20 0.44
PDE4D Q08499 1/20 0.44
CRHR1 P34998 6/20 0.40
HPGD P15428 2/20 0.39
IP6K1 Q92551 2/20 0.39
SSTR4 P31391 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL5551241 0.87 PDE4B (0.54) PDE4BPDE4APDE4DCRHR1HPGD
SCHEMBL4188761 0.86 PDE4B (0.39) PDE4BPDE4APDE4DCRHR1HPGD
SCHEMBL5552570 0.85 PDE4B (0.48) PDE4BPDE4APDE4DCRHR1HPGD
SCHEMBL8302740 0.83 PDE4B (0.46) PDE4BPDE4APDE4DCRHR1HPGD
SCHEMBL4187279 0.83 PDE4B (0.44) PDE4BPDE4APDE4DHPGD
SCHEMBL8303135 0.83 PDE4B (0.44) PDE4BPDE4APDE4DHPGD
SCHEMBL5547933 0.83 PDE4B (0.55) PDE4BPDE4APDE4DCRHR1HPGD
Hydrochloric Acid SCHEMBL4185098 0.82 PDE4B (0.44) PDE4BPDE4APDE4DHPGD
SCHEMBL5550951 0.82 PDE4B (0.43) PDE4BPDE4APDE4DCRHR1HPGD
SCHEMBL13929105 0.82 PDE4B (0.50) PDE4BPDE4APDE4DHPGD

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-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors BARBER CHRISTOPHER G 2006-08-10 US disclosed
US-20050043326-A1 Compounds PFIZER INC 2005-02-24 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-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4A 1/4885PDE4D 5/4885
US-20050043326-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.