SCHEMBL3351548

SCHEMBL3351548

CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C#N)(Cc3ccc(F)cc3)CC2)Oc2cc(-c3ccccn3)c(Cl)cc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.35
ALDH1A1 P00352 2/20 0.35
USP30 Q70CQ3 2/20 0.34
MC4R P32245 1/20 0.34
DGAT2 Q96PD7 4/20 0.33
GPR119 Q8TDV5 2/20 0.33
SQOR Q9Y6N5 1/20 0.33
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
CDK9 P50750 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
TP53 P04637 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31

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
SCHEMBL3358665 0.89 GPR119 (0.36) ALDH1A1MC4RDGAT2GPR119SQOR
SCHEMBL2799068 0.89 MC4R (0.37) ALDH1A1MC4RDGAT2JAK2JAK1
SCHEMBL3352280 0.87 MC4R (0.36) ALDH1A1MC4RDGAT2JAK2JAK1
SCHEMBL3358997 0.86 MC4R (0.36) ALDH1A1MC4RDGAT2JAK2JAK1
SCHEMBL3356511 0.86 MC4R (0.36) ALDH1A1MC4RDGAT2JAK2JAK1
SCHEMBL3353154 0.86 MC4R (0.36) ALDH1A1MC4RDGAT2JAK2JAK1
SCHEMBL3353800 0.86 ALDH1A1 (0.37) CCNT1ALDH1A1MC4RDGAT2GPR119
SCHEMBL3358660 0.86 MC4R (0.35) CCNT1ALDH1A1MC4RGPR119JAK2
SCHEMBL3355017 0.85 MC4R (0.35) ALDH1A1MC4RJAK2JAK1SIRT2
SCHEMBL3357362 0.85 MC4R (0.35) ALDH1A1MC4RGPR119JAK2JAK1

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
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

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 CCNT1 1434/4885ALDH1A1 903/4885USP30 1994/4885

“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.