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Sugi Predict / Compounds / SCHEMBL3358665

SCHEMBL3358665

SCHEMBL3358665

CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C#N)(Cc3ccc(F)cc3)CC2)Oc2cc(-c3cccnc3)c(Cl)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ NAMPT P43490 1/20 0.33
▸ MC4R P32245 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ DGAT2 Q96PD7 4/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ JAK1 P23458 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CYP3A4 P08684 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
SCHEMBL3354303 0.90 MC4R (0.33) GPR119MC4RALDH1A1DGAT2CDK9
SCHEMBL2799068 0.89 MC4R (0.37) HDAC1MC4RALDH1A1DGAT2JAK2
SCHEMBL3351548 0.89 CCNT1 (0.35) GPR119MC4RALDH1A1DGAT2JAK2
SCHEMBL3355017 0.87 MC4R (0.35) MC4RALDH1A1JAK2JAK1
SCHEMBL13308309 0.87 MC4R (0.35) MC4RALDH1A1JAK2JAK1
SCHEMBL3352280 0.87 MC4R (0.36) HDAC1MC4RALDH1A1DGAT2JAK2
SCHEMBL3355285 0.87 ALDH1A1 (0.33) GPR119MC4RALDH1A1DGAT2JAK2
SCHEMBL13308370 0.87 GPR119 (0.34) GPR119MC4RALDH1A1DGAT2JAK2
SCHEMBL3356511 0.87 MC4R (0.36) HDAC1HDAC6MC4RALDH1A1DGAT2
SCHEMBL3353154 0.87 MC4R (0.36) HDAC1MC4RALDH1A1DGAT2JAK2

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
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
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 550/4885CYP11B2 1297/4885HDAC1 887/4885

“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.