SCHEMBL6797756

SCHEMBL6797756

COCCOc1cc(C)c(Oc2nc(C)cc(NC3CCOC3)c2C(=O)OC)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.35
GRM5 P41594 7/20 0.34
PDE1B Q01064 1/20 0.33
BTK Q06187 2/20 0.32
LRRK2 Q5S007 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
HSP90B1 P14625 1/20 0.32
TRAP1 Q12931 1/20 0.32

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
SCHEMBL6795536 0.91 PDE1B (0.37) HPGDSPDE1B
SCHEMBL5845474 0.89 HPGDS (0.38) HPGDSPDE1BHSP90AA1HSP90AB1HSP90B1
SCHEMBL6800033 0.88 GRM5 (0.38) HPGDSGRM5PDE1BHSP90AA1HSP90AB1
SCHEMBL6797091 0.86 MCHR1 (0.35) HPGDSPDE1BHSP90AA1HSP90AB1HSP90B1
SCHEMBL5844055 0.86 PDE1B (0.36) HPGDSGRM5PDE1BLRRK2HSP90AA1
SCHEMBL6797534 0.86 PDE1B (0.36) HPGDSGRM5PDE1BLRRK2HSP90AA1
SCHEMBL6799775 0.79 LRRK2 (0.38) HPGDSPDE1BLRRK2
SCHEMBL6799142 0.78 LRRK2 (0.36) GRM5PDE1BLRRK2HSP90AA1HSP90AB1
SCHEMBL6799139 0.78 LRRK2 (0.36) GRM5PDE1BLRRK2HSP90AA1HSP90AB1
SCHEMBL6792201 0.77 HSP90AA1 (0.41) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20020016328-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 HPGDS 1821/4885GRM5 59/4885PDE1B 2331/4885

“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.