SCHEMBL5845474

SCHEMBL5845474

COC(=O)c1c(NC2CCOC2)cc(C)nc1Oc1c(C)cc(OC)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.38
PDE1B Q01064 5/20 0.38
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
PDE1C Q14123 4/20 0.36
PDE10A Q9Y233 2/20 0.35
PDE1A P54750 2/20 0.35
PDE6D O43924 1/20 0.35
PDE5A O76074 1/20 0.35
PDE6A P16499 1/20 0.35
PDE6G P18545 1/20 0.35
PDE6B P35913 1/20 0.35
PDE6C P51160 1/20 0.35
PDE6H Q13956 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
HSP90B1 P14625 1/20 0.34
TRAP1 Q12931 1/20 0.34
FASN P49327 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL6800033 0.93 GRM5 (0.38) HPGDSPDE1BHSP90AA1HSP90AB1HSP90B1
SCHEMBL6795536 0.91 PDE1B (0.37) HPGDSPDE1BPDE1CPDE1A
SCHEMBL6797091 0.91 MCHR1 (0.35) HPGDSPDE1BPDE1CPDE1AHSP90AA1
SCHEMBL6797534 0.90 PDE1B (0.36) HPGDSPDE1BPDE1CPDE1AHSP90AA1
SCHEMBL5844055 0.90 PDE1B (0.36) HPGDSPDE1BPDE1CPDE1AHSP90AA1
SCHEMBL6797756 0.89 HPGDS (0.35) HPGDSPDE1BHSP90AA1HSP90AB1HSP90B1
SCHEMBL6799775 0.85 LRRK2 (0.38) HPGDSPDE1BPDE1CPDE1A
SCHEMBL6792201 0.81 HSP90AA1 (0.41) PDE1BPDE1CPDE1AHSP90AA1HSP90AB1
SCHEMBL6799142 0.80 LRRK2 (0.36) PDE1BHSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL6799139 0.80 LRRK2 (0.36) PDE1BHSP90AA1HSP90AB1HSP90B1TRAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125880-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-10-24 US disclosed
US-7067664-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-06-27 US disclosed
US-6956047-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-10-18 US disclosed
US-20050032846-A1 Corticotropin releasing factor antagonists PFIZER INC. 2005-02-10 US disclosed
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed
US-6833378-B2 Pyridines, pyrimidines, purinones, pyrrolopyrimidinones and pyrrolopyridinones; useful in the treatment disorders including CNS and stress-related disorders. PFIZER INC 2004-12-21 US disclosed
EP-1263732-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS Pfizer Products Inc. (US) 2002-12-11 EP disclosed
US-20020016328-A1 Corticotropin releasing factor antagonists PFIZER INC. 2002-02-07 US disclosed
WO-2001053263-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-07-26 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-20020016328-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 HPGDS 1821/4885PDE1B 2331/4885CYP3A4 2453/4885
US-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 HPGDS 2256/4885PDE1B 784/4885CYP3A4 4070/4885

“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.