SCHEMBL3958085

SCHEMBL3958085

CCOC(=O)C1CC(Oc2ccc(Cl)c3c2C2(CCCCCC2)NC(=O)N3)C1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 20/20 0.58
▸ PDE7B Q9NP56 3/20 0.58
▸ PDE4D Q08499 14/20 0.57
▸ PDE1A P54750 10/20 0.57
▸ PDE1B Q01064 10/20 0.57
▸ PDE1C Q14123 10/20 0.57
▸ PDE5A O76074 5/20 0.57
▸ PDE3A Q14432 4/20 0.57

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
SCHEMBL3960099 0.88 PDE7A (0.59) PDE7APDE7BPDE4DPDE1APDE1B
SCHEMBL13899377 0.87 PDE7A (0.55) PDE7APDE7BPDE4DPDE1APDE1B
SCHEMBL3950069 0.87 PDE7A (0.58) PDE7APDE7BPDE4DPDE1APDE1B
SCHEMBL3950067 0.87 PDE7A (0.58) PDE7APDE7BPDE4DPDE1APDE1B
SCHEMBL8243858 0.86 PDE7A (0.53) PDE7APDE7BPDE4DPDE1APDE1B
SCHEMBL3951558 0.86 PDE7A (0.64) PDE7APDE7BPDE4DPDE1APDE1B
SCHEMBL3949230 0.86 PDE7A (0.64) PDE7APDE7BPDE4DPDE1APDE1B
SCHEMBL3949235 0.86 PDE7A (0.64) PDE7APDE7BPDE4DPDE1APDE1B
SCHEMBL3951908 0.86 PDE7A (0.56) PDE7APDE7BPDE4DPDE1APDE1B
Acetic Acid SCHEMBL3958246 0.85 PDE7A (0.61) PDE7APDE7BPDE4DPDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507742-B2 Spirocyclic derivatives PFIZER INC. (US) 2009-03-24 — — US disclosed
US-7507742-B2 Spirocyclic derivatives PFIZER INC. (US) 2009-03-24 — — US disclosed
US-7507742-B2 Spirocyclic derivatives PFIZER INC. (US) 2009-03-24 — — US disclosed
US-20070129388-A1 Phosphodiesterases inhibitors specially PDE7; To treat pain, especially neuropathic pain; superior pharmacokinetics; 3-[(8'-Chloro-2'-oxo-2',3'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'-yl)oxy]cyclobutanecarboxylic acid PFIZER, INC. 2007-06-07 — — US disclosed
US-20070129388-A1 Phosphodiesterases inhibitors specially PDE7; To treat pain, especially neuropathic pain; superior pharmacokinetics; 3-[(8'-Chloro-2'-oxo-2',3'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'-yl)oxy]cyclobutanecarboxylic acid PFIZER, INC. 2007-06-07 — — US disclosed
US-20070129388-A1 Phosphodiesterases inhibitors specially PDE7; To treat pain, especially neuropathic pain; superior pharmacokinetics; 3-[(8'-Chloro-2'-oxo-2',3'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'-yl)oxy]cyclobutanecarboxylic acid PFIZER, INC. 2007-06-07 — — 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 (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-20070129388-A1 Phosphodiesterases inhibitors specially PDE7; To treat pain, especially neuropathic pain; superior pharmacokinetics; 3-[(8'-Chloro-2'-oxo-2',3'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'-yl)oxy]cyclobutanecarboxylic acid PDE7A, PDE7B, PDE3A PDE7A 1/4885PDE7B 2/4885PDE4D 26/4885

“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.

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