SCHEMBL5243090

SCHEMBL5243090

COc1cccc(C2CCCN(c3ncnc4cc(OC)c(OC)cc34)C2)c1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 7/20 0.81
PDE10A Q9Y233 11/20 0.68
HTR1A P08908 1/20 0.60
ADRA1D P25100 1/20 0.60
HTR7 P34969 1/20 0.60
ADRA1A P35348 1/20 0.60
ADRA1B P35368 1/20 0.60
PDE3B Q13370 5/20 0.58
BTK Q06187 1/20 0.58

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
SCHEMBL5243398 0.90 PDE3A (1.00) PDE3APDE10AHTR1AHTR7PDE3B
SCHEMBL8273729 0.89 PDE3A (0.82) PDE3APDE10APDE3B
SCHEMBL5243437 0.89 PDE3A (0.82) PDE3APDE10APDE3B
SCHEMBL5242223 0.83 PDE3A (0.73) PDE3APDE10AHTR7PDE3B
SCHEMBL5242098 0.83 PDE3A (1.00) PDE3APDE10AHTR1AHTR7PDE3B
SCHEMBL12324453 0.82 PRKDC (0.82) PDE3A
SCHEMBL4727937 0.82 PDE3A (0.85) PDE3APDE10AHTR1AHTR7PDE3B
SCHEMBL5241719 0.81 PDE3A (0.76) PDE3APDE10AHTR1AHTR7PDE3B
SCHEMBL1639500 0.81 PDE10A (1.00) PDE3APDE10AHTR1AADRA1DHTR7
SCHEMBL1639051 0.81 PDE10A (1.00) PDE3APDE10AHTR1AADRA1DHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773805-A1 QUINAZOLIN-4-YL-PIPERIDINE AND CINNOLIN-4-YL-PIPERIDINE DERIVATIVES AS PDE10 INHIBITORS FOR THE TREATMENT OF CNS DISORDERS Pfizer Products Incorporated (US) 2007-04-18 EP claimed
WO-2006011040-A1 QUINAZOLIN-4-YL- PIPERIDINE AND CINNOLIN-4-YL- PIPERIDINE DERIVATIVES AS PDE10 INHIBITORS FOR THE TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2006-02-02 WO claimed
US-20060019975-A1 Novel piperidyl derivatives of quinazoline and isoquinoline PFIZER INC 2006-01-26 US claimed
EP-1773805-A1 QUINAZOLIN-4-YL-PIPERIDINE AND CINNOLIN-4-YL-PIPERIDINE DERIVATIVES AS PDE10 INHIBITORS FOR THE TREATMENT OF CNS DISORDERS Pfizer Products Incorporated (US) 2007-04-18 EP disclosed
WO-2006011040-A1 QUINAZOLIN-4-YL- PIPERIDINE AND CINNOLIN-4-YL- PIPERIDINE DERIVATIVES AS PDE10 INHIBITORS FOR THE TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2006-02-02 WO disclosed
WO-2006011040-A1 QUINAZOLIN-4-YL- PIPERIDINE AND CINNOLIN-4-YL- PIPERIDINE DERIVATIVES AS PDE10 INHIBITORS FOR THE TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2006-02-02 WO disclosed
US-20060019975-A1 Novel piperidyl derivatives of quinazoline and isoquinoline PFIZER INC 2006-01-26 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-20060019975-A1 Novel piperidyl derivatives of quinazoline and isoquinoline PDE5A, PDE4A, PDE3A PDE3A 3/4885PDE10A 12/4885HTR1A 1084/4885

“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.