SCHEMBL3359566

SCHEMBL3359566

CN(C)c1cc2c(cc1Cl)N(C(=O)OC(C)(C)C)CC(C(=O)N1CCC(C#N)(Cc3ccc(F)cc3)C1)O2

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.34
JAK2 O60674 7/20 0.32
JAK1 P23458 7/20 0.32
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
RORC P51449 3/20 0.31
TACR3 P29371 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
DGAT2 Q96PD7 3/20 0.30
TP53 P04637 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 0.96 MC4R (0.35) MC4RJAK2JAK1RORCTACR3
SCHEMBL3359511 0.92 MC4R (0.35) MC4RJAK2JAK1RORCTACR3
SCHEMBL13308356 0.92 MC4R (0.35) MC4RJAK2JAK1RORCTACR3
SCHEMBL3351826 0.91 MC4R (0.34) MC4RJAK2JAK1RORCTACR3
SCHEMBL3354353 0.90 MC4R (0.34) MC4RJAK2JAK1RORCTACR3
SCHEMBL2799068 0.89 MC4R (0.37) MC4RJAK2JAK1HDAC1HDAC2
SCHEMBL3358997 0.88 MC4R (0.36) MC4RJAK2JAK1HDAC1HDAC2
SCHEMBL3355025 0.88 JAK2 (0.35) MC4RJAK2JAK1HDAC1HDAC8
SCHEMBL3355883 0.88 PDE4A (0.36) MC4RJAK2JAK1HDAC1HDAC6
SCHEMBL3352280 0.87 MC4R (0.36) MC4RJAK2JAK1HDAC1HDAC2

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 1326/4885JAK2 664/4885JAK1 1481/4885

“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.