SCHEMBL3355883

SCHEMBL3355883

CN(C)c1cc2c(cc1Cl)N(C(=O)OC(C)(C)C)CC(C(=O)N1CCC(C#N)(Cc3ccncc3)CC1)O2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
GPR119 Q8TDV5 6/20 0.35
NAMPT P43490 2/20 0.33
JAK2 O60674 4/20 0.33
JAK1 P23458 4/20 0.33
USP30 Q70CQ3 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
MC4R P32245 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
FPR2 P25090 1/20 0.30
PROKR1 Q8TCW9 1/20 0.30

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
SCHEMBL3354406 0.92 MC4R (0.35) JAK2JAK1MC4R
SCHEMBL3355410 0.90 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL3355025 0.89 JAK2 (0.35) GPR119JAK2JAK1MC4RHDAC1
SCHEMBL3359511 0.88 MC4R (0.35) JAK2JAK1MC4R
SCHEMBL3359566 0.88 MC4R (0.34) JAK2JAK1MC4RHDAC1HDAC6
SCHEMBL13308356 0.88 MC4R (0.35) JAK2JAK1MC4R
SCHEMBL13308347 0.87 FPR2 (0.32) NAMPTFPR2PROKR1
SCHEMBL3351826 0.86 MC4R (0.34) JAK2JAK1MC4R
SCHEMBL3354353 0.85 MC4R (0.34) GPR119JAK2JAK1MC4R
SCHEMBL2799068 0.85 MC4R (0.37) JAK2JAK1MC4RHDAC1

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 4 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
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 PDE4A 2366/4885PDE4B 2959/4885PDE4C 3127/4885

“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.