SCHEMBL3354927

SCHEMBL3354927

COc1cc2c(cc1Cl)N(C(=O)OC(C)(C)C)CC(C(=O)N1CCC(C#N)(C(F)(F)c3ccc(F)cc3)CC1)O2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.35
MAPT P10636 2/20 0.35
RORC P51449 9/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
SHMT2 P34897 1/20 0.32
MGLL Q99685 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
CREBBP Q92793 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
HDAC2 Q92769 2/20 0.30
HDAC1 Q13547 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
SCHEMBL3353656 0.90 MC4R (0.35) MC4RRORCHDAC2HDAC1
SCHEMBL3355389 0.85 MC4R (0.35) MC4RMAPTRORCPDE4APDE4B
SCHEMBL3355392 0.84 MC4R (0.36) MC4RMAPTPDE4APDE4BPDE4C
SCHEMBL3356313 0.81 MEN1 (0.36) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL3358221 0.81 SHMT2 (0.35) MC4RMAPTRORCSMN1; SMN2SHMT2
SCHEMBL3351119 0.80 PDE4B (0.41) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL3351912 0.80 JAK2 (0.34) MC4RMAPTPDE4APDE4BPDE4C
SCHEMBL3355480 0.79 ALDH1A1 (0.45) MAPTMEN1ALDH1A1KMT2A
SCHEMBL3358660 0.79 MC4R (0.35) MC4RRORCMGLLMEN1ALDH1A1
SCHEMBL2799068 0.79 MC4R (0.37) MC4RRORCALDH1A1HDAC2HDAC1

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
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 1326/4885MAPT 4510/4885RORC 216/4885

“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.