SCHEMBL5240784

SCHEMBL5240784

COc1cc2ncnc(N3CC(O)CC(c4ccc5ccccc5c4)C3)c2cc1OC

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 13/20 0.80
PDE3A Q14432 9/20 0.57
PDE3B Q13370 7/20 0.57
ACHE P22303 2/20 0.50
BACE1 P56817 2/20 0.50
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47

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
SCHEMBL5241297 0.89 PDE10A (1.00) PDE10APDE3AACHEBACE1PDGFRB
SCHEMBL5245236 0.89 PDE10A (1.00) PDE10APDE3AACHEBACE1PDGFRB
SCHEMBL5245250 0.89 PDE10A (1.00) PDE10APDE3AACHEBACE1PDGFRB
SCHEMBL5244219 0.88 PDE10A (0.83) PDE10APDE3APDE3BPDGFRBPDGFRA
SCHEMBL5242923 0.85 PDE10A (0.58) PDE10APDE3APDE3B
SCHEMBL5241836 0.85 PDE10A (0.74) PDE10APDE3APDE3BACHEBACE1
SCHEMBL5241828 0.85 PDE10A (0.74) PDE10APDE3APDE3BACHEBACE1
SCHEMBL5241844 0.85 PDE10A (0.74) PDE10APDE3APDE3BACHEBACE1
SCHEMBL8273730 0.84 PDE10A (0.89) PDE10APDE3AACHEBACE1PDGFRB
SCHEMBL5241447 0.84 PDE10A (0.89) PDE10APDE3AACHEBACE1PDGFRB

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 4 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 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 PDE10A 12/4885PDE3A 3/4885PDE3B 7/4885

“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.