SCHEMBL3351826

SCHEMBL3351826

CN(C(=O)OC(C)(C)C)c1cc2c(cc1Cl)N(C(=O)OC(C)(C)C)CC(C(=O)N1CCC(C#N)(Cc3ccc(F)cc3)CC1)O2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.34
TACR3 P29371 1/20 0.31
ALDH1A1 P00352 1/20 0.31
JAK2 O60674 3/20 0.30
JAK1 P23458 3/20 0.30
HSD11B1 P28845 1/20 0.30
RORC P51449 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 0.95 MC4R (0.35) MC4RTACR3ALDH1A1JAK2JAK1
SCHEMBL13308356 0.93 MC4R (0.35) MC4RTACR3ALDH1A1JAK2JAK1
SCHEMBL3359511 0.92 MC4R (0.35) MC4RTACR3ALDH1A1JAK2JAK1
SCHEMBL3354353 0.91 MC4R (0.34) MC4RTACR3ALDH1A1JAK2JAK1
SCHEMBL2799068 0.91 MC4R (0.37) MC4RALDH1A1JAK2JAK1RORC
SCHEMBL3359566 0.91 MC4R (0.34) MC4RTACR3JAK2JAK1RORC
SCHEMBL3352280 0.89 MC4R (0.36) MC4RTACR3ALDH1A1JAK2JAK1
SCHEMBL13308426 0.89 MC4R (0.36) MC4RTACR3ALDH1A1JAK2JAK1
SCHEMBL3353154 0.88 MC4R (0.36) MC4RTACR3ALDH1A1JAK2JAK1
SCHEMBL3358997 0.88 MC4R (0.36) MC4RALDH1A1JAK2JAK1RORC

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
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 MC4R 1326/4885TACR3 518/4885ALDH1A1 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.