SCHEMBL3033581

SCHEMBL3033581

O=C1Nc2c(Cl)ccc(O)c2C2(CCCC2)N1

nearest known ligand 0.97

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 20/20 0.97
PDE4D Q08499 11/20 0.60
PDE1A P54750 8/20 0.60
PDE1B Q01064 8/20 0.60
PDE1C Q14123 8/20 0.60
PDE7B Q9NP56 4/20 0.60
PDE5A O76074 4/20 0.56
PDE3A Q14432 2/20 0.55

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
SCHEMBL3952082 0.98 PDE7A (1.00) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL3028910 0.98 PDE7A (1.00) PDE7APDE4DPDE1APDE1BPDE1C
Acetic Acid SCHEMBL3953446 0.92 PDE7A (0.87) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL20641787 0.87 PDE7A (0.75) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL5529818 0.86 PDE7A (1.00) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL3022180 0.81 PDE7A (0.70) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL3025481 0.79 PDE7A (0.66) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL8115990 0.78 PDE7A (0.97) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL3952384 0.77 PDE7A (1.00) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL8245267 0.77 PDE7A (1.00) PDE7APDE4DPDE1APDE1BPDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216823-A1 Spirocyclic Derivatives PFIZER INC. 2010-08-26 US disclosed
US-20100216823-A1 Spirocyclic Derivatives PFIZER INC. 2010-08-26 US disclosed
US-20100216823-A1 Spirocyclic Derivatives PFIZER INC. 2010-08-26 US disclosed
WO-2008142550-A9 SPIROCYCLIC QUINAZOLINE DERIVATIVES AND THEIR USE AS PDE7 INHIBITORS PFIZER LIMITED (GB) 2010-02-11 WO 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-7507742-B2 Spirocyclic derivatives PFIZER INC. (US) 2009-03-24 US disclosed
WO-2008142550-A2 SPIROCYCLIC DERIVATIVES PFIZER LIMITED (GB) 2008-11-27 WO 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
WO-2007063391-A2 SPIROCYCLIC QUINAZOLINE DERIVATIVES AS PDE7 INHIBITORS PFIZER LIMITED (GB) 2007-06-07 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 (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-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 1/4885PDE4D 26/4885PDE1A 9/4885
US-20100216823-A1 Spirocyclic Derivatives PDE7B, PDE6B, PDE7A PDE7A 3/4885PDE4D 22/4885PDE1A 23/4885

“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.