SCHEMBL3358997

SCHEMBL3358997

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.36
HDAC2 Q92769 4/20 0.35
HDAC1 Q13547 3/20 0.35
JAK2 O60674 6/20 0.33
JAK1 P23458 6/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RORC P51449 1/20 0.32
DGAT2 Q96PD7 3/20 0.31
NR3C2 P08235 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
SCHEMBL2799068 0.96 MC4R (0.37) MC4RHDAC2HDAC1JAK2JAK1
SCHEMBL3352280 0.92 MC4R (0.36) MC4RHDAC2HDAC1JAK2JAK1
SCHEMBL3354692 0.92 MC4R (0.36) MC4RHDAC2HDAC1JAK2JAK1
SCHEMBL3353154 0.91 MC4R (0.36) MC4RHDAC2HDAC1JAK2JAK1
SCHEMBL3355392 0.91 MC4R (0.36) MC4RHDAC2HDAC1JAK2JAK1
SCHEMBL3356511 0.91 MC4R (0.36) MC4RHDAC1JAK2JAK1SIRT2
SCHEMBL13308355 0.91 MC4R (0.36) MC4RHDAC2HDAC1JAK2JAK1
SCHEMBL3357362 0.91 MC4R (0.35) MC4RJAK2JAK1SIRT2SIRT1
SCHEMBL3355017 0.91 MC4R (0.35) MC4RJAK2JAK1SIRT2SIRT1
SCHEMBL3354406 0.91 MC4R (0.35) MC4RJAK2JAK1SIRT2SIRT1

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 1326/4885HDAC2 1275/4885HDAC1 887/4885

“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.