SCHEMBL3356313

SCHEMBL3356313

COc1cc2c(cc1Cl)N(C(=O)OC(C)(C)C)CC(C(=O)N1CCC(CO)(Cc3ccc(F)cc3)CC1)O2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
LMNA P02545 3/20 0.34
MAPT P10636 1/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
POLB P06746 1/20 0.34
DNMT3A Q9Y6K1 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CCR1 P32246 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 3/20 0.33
ATM Q13315 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL3358694 0.88 PDE4A (0.35) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL3355480 0.87 ALDH1A1 (0.45) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL3355392 0.86 MC4R (0.36) LMNAMAPTPDE4APDE4BPDE4C
SCHEMBL3358660 0.82 MC4R (0.35) MEN1KMT2ALMNAALDH1A1
SCHEMBL13308348 0.82 TACR3 (0.32)
SCHEMBL2799068 0.81 MC4R (0.37) ALDH1A1
SCHEMBL3354927 0.81 MC4R (0.35) MEN1KMT2AMAPTPDE4APDE4B
SCHEMBL3351119 0.81 PDE4B (0.41) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL3353490 0.81 MC4R (0.34) DNMT3AALDH1A1
SCHEMBL13330723 0.81 PPARG (0.34) L3MBTL1ALDH1A1

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
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

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 MEN1 4595/4885KMT2A 3495/4885LMNA 3702/4885

“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.