SCHEMBL3354752

SCHEMBL3354752

N#CC1(Cc2ccc(F)cc2)CCN(C(=O)C2CNc3cc(Cl)cc(-c4ccncc4)c3O2)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 3/20 0.37
USP7 Q93009 6/20 0.37
ALDH1A1 P00352 2/20 0.35
FPR2 P25090 1/20 0.32
PROKR1 Q8TCW9 1/20 0.32
RIPK3 Q9Y572 2/20 0.32
RORC P51449 1/20 0.31
RAB9A P51151 1/20 0.31
USP30 Q70CQ3 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
SCHEMBL3356531 0.90 USP7 (0.34) USP7ALDH1A1
SCHEMBL3358806 0.90 ALDH1A1 (0.34) USP7ALDH1A1
SCHEMBL13331595 0.87 ALDH1A1 (0.36) ALDH1A1FPR2PROKR1
SCHEMBL3355975 0.86 CYP46A1 (0.37) CYP46A1ALDH1A1FPR2PROKR1RIPK3
SCHEMBL13331593 0.86 ALDH1A1 (0.36) USP7ALDH1A1
SCHEMBL3358678 0.85 ALDH1A1 (0.35) ALDH1A1FPR2PROKR1
SCHEMBL3359150 0.82 ADAMTS5 (0.40) ALDH1A1FPR2PROKR1
SCHEMBL13330981 0.82 ALDH1A1 (0.36) ALDH1A1FPR2PROKR1
SCHEMBL3358051 0.81 GPR119 (0.34) CYP46A1USP7ALDH1A1USP30
SCHEMBL13331658 0.80 ALDH1A1 (0.35) ALDH1A1FPR2PROKR1

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 7 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 claimed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US claimed
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
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

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 CYP46A1 2299/4885USP7 2082/4885ALDH1A1 903/4885

“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.