SCHEMBL3355285

SCHEMBL3355285

CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C#N)(Cc3ccc(F)cc3)CC2)Oc2cc(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)c(Cl)cc21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
RET P07949 1/20 0.33
DGAT2 Q96PD7 4/20 0.32
JAK2 O60674 4/20 0.32
JAK1 P23458 4/20 0.32
MC4R P32245 1/20 0.31
TP53 P04637 2/20 0.31
CDK9 P50750 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
USP30 Q70CQ3 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
SCHEMBL3355553 0.89 ALDH1A1 (0.33) ALDH1A1RETDGAT2JAK2JAK1
SCHEMBL3358665 0.87 GPR119 (0.36) ALDH1A1DGAT2JAK2JAK1MC4R
SCHEMBL2799068 0.85 MC4R (0.37) ALDH1A1DGAT2JAK2JAK1MC4R
SCHEMBL3351548 0.85 CCNT1 (0.35) ALDH1A1DGAT2JAK2JAK1MC4R
SCHEMBL3354303 0.85 MC4R (0.33) ALDH1A1DGAT2MC4RCDK9GPR119
SCHEMBL13308309 0.84 MC4R (0.35) ALDH1A1JAK2JAK1MC4R
SCHEMBL3355017 0.84 MC4R (0.35) ALDH1A1JAK2JAK1MC4R
SCHEMBL3357362 0.84 MC4R (0.35) ALDH1A1JAK2JAK1MC4RTP53
SCHEMBL3352280 0.84 MC4R (0.36) ALDH1A1DGAT2JAK2JAK1MC4R
SCHEMBL3358997 0.83 MC4R (0.36) ALDH1A1DGAT2JAK2JAK1MC4R

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 5 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
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
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 903/4885RET 2270/4885DGAT2 3739/4885

“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.