SCHEMBL6797091

SCHEMBL6797091

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.35
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
HSP90B1 P14625 2/20 0.34
TRAP1 Q12931 1/20 0.34
PDE1B Q01064 2/20 0.34
OPRK1 P41145 2/20 0.34
GPR6 P46095 2/20 0.33
ABL1 P00519 1/20 0.33
FAAH O00519 1/20 0.33
EPHX2 P34913 1/20 0.33
HPGDS O60760 1/20 0.33
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
BRAF P15056 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1C Q14123 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
SCHEMBL5845474 0.91 HPGDS (0.38) HSP90AA1HSP90AB1HSP90B1TRAP1PDE1B
SCHEMBL6800033 0.90 GRM5 (0.38) HSP90AA1HSP90AB1HSP90B1TRAP1PDE1B
SCHEMBL6795536 0.88 PDE1B (0.37) PDE1BHPGDSPDE1APDE1C
SCHEMBL6797534 0.87 PDE1B (0.36) HSP90AA1HSP90AB1HSP90B1TRAP1PDE1B
SCHEMBL5844055 0.87 PDE1B (0.36) HSP90AA1HSP90AB1HSP90B1TRAP1PDE1B
SCHEMBL6797756 0.86 HPGDS (0.35) HSP90AA1HSP90AB1HSP90B1TRAP1PDE1B
SCHEMBL6799775 0.80 LRRK2 (0.38) PDE1BHPGDSPDE1APDE1C
SCHEMBL6792201 0.78 HSP90AA1 (0.41) HSP90AA1HSP90AB1HSP90B1TRAP1PDE1B
SCHEMBL6799142 0.77 LRRK2 (0.36) HSP90AA1HSP90AB1HSP90B1TRAP1PDE1B
SCHEMBL6799139 0.77 LRRK2 (0.36) HSP90AA1HSP90AB1HSP90B1TRAP1PDE1B

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 2 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
US-20020016328-A1 Corticotropin releasing factor antagonists PFIZER INC. 2002-02-07 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-20020016328-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 MCHR1 51/4885HSP90AA1 2801/4885HSP90AB1 2668/4885

“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.