SCHEMBL3386987

SCHEMBL3386987

CN(C)C(=O)COc1cc2c(cc1Cl)N(C(=O)O)CC(C(=O)N1CCC(C#N)(Cc3ccc(F)cc3)CC1)O2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
CCR3 P51677 1/20 0.32
FPR2 P25090 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31
MGLL Q99685 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL13308230 0.91 MC4R (0.33) ALDH1A1CCR3MGLL
SCHEMBL3352172 0.91 ALDH1A1 (0.35) ALDH1A1CCR3FPR2PROKR1MGLL
SCHEMBL3353490 0.86 MC4R (0.34) ALDH1A1FPR2PROKR1MGLLPTGDR2
SCHEMBL3354367 0.85 ALDH1A1 (0.34) ALDH1A1CCR3FPR2PROKR1MGLL
SCHEMBL3381860 0.84 ALDH1A1 (0.37) ALDH1A1FPR2PROKR1
SCHEMBL3387358 0.84 ALDH1A1 (0.37) ALDH1A1FPR2PROKR1
SCHEMBL3358660 0.84 MC4R (0.35) ALDH1A1MGLL
SCHEMBL3354423 0.84 LMNA (0.37) ALDH1A1FPR2PROKR1
SCHEMBL3353851 0.83 MAPK14 (0.33) ALDH1A1
SCHEMBL13308228 0.83 MC4R (0.34) ALDH1A1FPR2PROKR1MGLL

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 2 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

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 ALDH1A1 903/4885CCR3 5/4885FPR2 60/4885

“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.