SCHEMBL3351119

SCHEMBL3351119

COc1cc2c(cc1Cl)N(C(=O)OC(C)(C)C)CC(C(=O)N1CCC(Oc3ccc(F)cc3)CC1)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.41
CACNB4 O00305 1/20 0.40
CACNA1A O00555 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNG3 O60359 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNB3 P54284 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNG7 P62955 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNG1 Q06432 1/20 0.40
CACNB2 Q08289 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
CACNA1E Q15878 1/20 0.40
CACNA2D4 Q7Z3S7 1/20 0.40
CACNA2D3 Q8IZS8 1/20 0.40

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
SCHEMBL3353860 0.91 GPR119 (0.41) GPR119EPHX2NPBWR1MCHR1HRH3
SCHEMBL3356313 0.81 MEN1 (0.36) PDE4BMAPTPDE4APDE4CPDE4D
SCHEMBL3354927 0.80 MC4R (0.35) PDE4BMAPTPDE4APDE4CPDE4D
SCHEMBL3355389 0.80 MC4R (0.35) PDE4BMAPTPDE4APDE4CPDE4D
SCHEMBL3355480 0.79 ALDH1A1 (0.45) MAPT
SCHEMBL3354392 0.78 EPHX2 (0.42) EPHX2MCHR1HRH3HRH1CCR3
SCHEMBL3355392 0.78 MC4R (0.36) PDE4BMAPTPDE4APDE4CPDE4D
SCHEMBL3354397 0.77 HTT (0.42) PDE4BMAPT
SCHEMBL3358134 0.77 DRD3 (0.46) MCHR1CCR3
SCHEMBL3358694 0.76 PDE4A (0.35) PDE4BMAPTPDE4APDE4CPDE4D

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-8759818-B2 Deuterated compounds for electronic applications E I DU PONT DE NEMOURS AND COMPANY (US) 2014-06-24 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
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 PDE4B 2959/4885CACNB4 3136/4885CACNA1A 4413/4885

“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.