SCHEMBL3353490

SCHEMBL3353490

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.32
MGLL Q99685 1/20 0.32
RORC P51449 1/20 0.31
FPR2 P25090 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31
DNMT3A Q9Y6K1 1/20 0.31
JAK2 O60674 4/20 0.31
JAK1 P23458 4/20 0.31
GPR119 Q8TDV5 3/20 0.31
NTRK1 P04629 1/20 0.31
CCNT1 O60563 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
SCHEMBL13308228 0.95 MC4R (0.34) MC4RALDH1A1MGLLFPR2PROKR1
SCHEMBL3355857 0.94 MC4R (0.34) MC4RALDH1A1MGLLRORCDNMT3A
SCHEMBL3358660 0.94 MC4R (0.35) MC4RALDH1A1MGLLRORCJAK2
SCHEMBL13308230 0.94 MC4R (0.33) MC4RALDH1A1MGLLRORCCCNT1
SCHEMBL3353800 0.93 ALDH1A1 (0.37) MC4RALDH1A1MGLLGPR119CCNT1
SCHEMBL13334552 0.92 MC4R (0.34) MC4RALDH1A1MGLLGPR119
SCHEMBL2799068 0.92 MC4R (0.37) MC4RALDH1A1RORCJAK2JAK1
SCHEMBL13308316 0.91 ALDH1A1 (0.37) MC4RALDH1A1MGLLGPR119CCNT1
SCHEMBL3354748 0.91 MC4R (0.34) MC4RALDH1A1MGLLRORCJAK2
SCHEMBL3354586 0.91 MC4R (0.34) MC4RALDH1A1MGLLRORCJAK2

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
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
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 1326/4885ALDH1A1 903/4885PTGDR2 195/4885

“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.