SCHEMBL3355769

SCHEMBL3355769

CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C#N)(Cc3ccc(F)cc3)CC2)Oc2c(Br)cc(Cl)cc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.35
PAK1 Q13153 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.32
RORC P51449 1/20 0.32
CTSL P07711 2/20 0.32
CTSS P25774 2/20 0.32
JAK2 O60674 5/20 0.32
JAK1 P23458 5/20 0.32
HDAC1 Q13547 2/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
HDAC2 Q92769 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
SCHEMBL13308285 0.90 MC4R (0.34) MC4RPAK1ALDH1A1TP53RORC
SCHEMBL3358051 0.88 GPR119 (0.34) MC4RPAK1ALDH1A1TP53JAK2
SCHEMBL3358234 0.87 MC4R (0.36) MC4RALDH1A1TP53JAK2JAK1
SCHEMBL3356511 0.87 MC4R (0.36) MC4RALDH1A1TP53RORCCTSL
SCHEMBL2799068 0.85 MC4R (0.37) MC4RALDH1A1TP53RORCJAK2
SCHEMBL3355295 0.85 MC4R (0.34) MC4RALDH1A1RORCCTSLCTSS
SCHEMBL3354692 0.83 MC4R (0.36) MC4RALDH1A1TP53RORCJAK2
SCHEMBL3352280 0.83 MC4R (0.36) MC4RALDH1A1TP53RORCJAK2
SCHEMBL3355553 0.83 ALDH1A1 (0.33) MC4RALDH1A1TP53CTSLCTSS
SCHEMBL3358997 0.83 MC4R (0.36) MC4RALDH1A1RORCJAK2JAK1

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
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
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO 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 1326/4885PAK1 1665/4885ALDH1A1 903/4885

“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.