SCHEMBL3354586

SCHEMBL3354586

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
PDE4D Q08499 1/20 0.32
JAK2 O60674 7/20 0.32
JAK1 P23458 7/20 0.32
RORC P51449 3/20 0.32
ALK Q9UM73 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MGLL Q99685 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
SCHEMBL3354748 0.95 MC4R (0.34) MC4RJAK2JAK1RORCALDH1A1
SCHEMBL2799068 0.92 MC4R (0.37) MC4RJAK2JAK1RORCALDH1A1
SCHEMBL3358660 0.91 MC4R (0.35) MC4RJAK2JAK1RORCALDH1A1
SCHEMBL3353490 0.91 MC4R (0.34) MC4RJAK2JAK1RORCALDH1A1
SCHEMBL3355392 0.90 MC4R (0.36) MC4RPDE4DJAK2JAK1ALDH1A1
SCHEMBL3352280 0.90 MC4R (0.36) MC4RJAK2JAK1RORCALDH1A1
SCHEMBL13334552 0.89 MC4R (0.34) MC4RALDH1A1TP53MGLL
SCHEMBL13308228 0.89 MC4R (0.34) MC4RJAK2JAK1ALDH1A1MGLL
SCHEMBL3356511 0.89 MC4R (0.36) MC4RJAK2JAK1RORCALDH1A1
SCHEMBL3353154 0.89 MC4R (0.36) MC4RJAK2JAK1RORCALDH1A1

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
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 MC4R 1326/4885GRIN1 1029/4885GRIN2B 2417/4885

“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.