SCHEMBL5964550

SCHEMBL5964550

CCCOc1ccc(C(=O)CN2CCOCC2)cc1-c1nc(=O)c2c([nH]1)c(CCC)nn2C

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.70
PDE6C P51160 2/20 0.70
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43

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
SCHEMBL2032429 0.95 PDE5A (0.78) PDE5APDE6CHDAC1HDAC2HDAC6
SCHEMBL29611957 0.88 PDE5A (0.90) PDE5APDE6CHDAC1HDAC2HDAC6
SCHEMBL146830 0.88 PDE5A (0.90) PDE5APDE6CHDAC1HDAC2HDAC6
SCHEMBL19518053 0.87 PDE5A (0.66) PDE5APDE6CHDAC1HDAC2HDAC6
SCHEMBL18069562 0.85 PDE5A (0.65) PDE5APDE6CHDAC1HDAC2HDAC6
SCHEMBL147337 0.82 PDE5A (1.00) PDE5APDE6CHDAC1HDAC2HDAC6
SCHEMBL6058528 0.81 PDE5A (0.67) PDE5APDE6C
SCHEMBL18069561 0.80 PDE5A (0.77) PDE5APDE6CHDAC1HDAC2HDAC6
SCHEMBL7959160 0.80 PDE5A (0.77) PDE5APDE6CHDAC1HDAC2HDAC6
SCHEMBL2032052 0.79 PDE5A (0.74) PDE5APDE6CHDAC1HDAC2HDAC6

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-20060083714-A1 Combination of a pde iv inhibitor and a tnf-alpha antagonist PHARMACIA CORPORATION 2006-04-20 US disclosed
WO-2004067006-A1 COMBINATION OF A PDE IV INHIBITOR AND A TNF-ALPHA ANTAGONIST PHARMACIA CORPORATION (US) 2004-08-12 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-20060083714-A1 Combination of a pde iv inhibitor and a tnf-alpha antagonist TNF, PDE4A, PDE3B PDE5A 6/4885PDE6C 24/4885HDAC1 1208/4885

“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.