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SCHEMBL3358051

SCHEMBL3358051

CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C#N)(Cc3ccc(F)cc3)CC2)Oc2c(-c3ccncc3)cc(Cl)cc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 4/20 0.34
▸ CYP46A1 Q9Y6A2 2/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ USP7 Q93009 1/20 0.33
▸ MC4R P32245 1/20 0.33
▸ JAK2 O60674 5/20 0.32
▸ JAK1 P23458 5/20 0.32
▸ PAK1 Q13153 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ TP53 P04637 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
SCHEMBL3355769 0.88 MC4R (0.35) MC4RJAK2JAK1PAK1ALDH1A1
SCHEMBL3355553 0.87 ALDH1A1 (0.33) MC4RJAK2JAK1ALDH1A1TP53
SCHEMBL13308285 0.86 MC4R (0.34) MC4RJAK2JAK1PAK1ALDH1A1
SCHEMBL3358234 0.84 MC4R (0.36) GPR119MC4RJAK2JAK1ALDH1A1
SCHEMBL2799068 0.82 MC4R (0.37) MC4RJAK2JAK1ALDH1A1TP53
SCHEMBL3358665 0.82 GPR119 (0.36) GPR119MC4RJAK2JAK1ALDH1A1
SCHEMBL3355295 0.81 MC4R (0.34) GPR119MC4RJAK2JAK1ALDH1A1
SCHEMBL13308370 0.81 GPR119 (0.34) GPR119MC4RJAK2JAK1ALDH1A1
SCHEMBL3354752 0.81 CYP46A1 (0.37) CYP46A1USP7ALDH1A1USP30
SCHEMBL3354692 0.80 MC4R (0.36) MC4RJAK2JAK1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 — — WO disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 — — 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 GPR119 550/4885CYP46A1 2299/4885PDE4A 2366/4885

“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.