SCHEMBL3354261

SCHEMBL3354261

CN(C)c1cc2c(cc1Cl)N(C(=O)OC(C)(C)C)CC(C(=O)NC(CO)c1ccccc1)O2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.36
POLB P06746 2/20 0.34
ATM Q13315 1/20 0.34
RORC P51449 2/20 0.33
KCNQ3 O43525 3/20 0.33
KCNQ2 O43526 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
KIT P10721 3/20 0.32
PHGDH O43175 1/20 0.32
CCR5 P51681 1/20 0.32

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
SCHEMBL13308383 1.00 RIPK1 (0.36) RIPK1POLBATMRORCKCNQ3
SCHEMBL3351605 0.81 POLB (0.41) POLBRORCSIRT2SIRT1
SCHEMBL3354889 0.77 POLB (0.43) POLBSIRT2SIRT1
SCHEMBL3355921 0.74 MC4R (0.33)
SCHEMBL3353151 0.73 POLB (0.39) POLBRORCSIRT2SIRT1
SCHEMBL3355919 0.71 CACNA1G (0.36) RORCCCR5
SCHEMBL3355885 0.71 POLB (0.46) POLBRORCSIRT2SIRT1
SCHEMBL3359137 0.69 POLB (0.42) POLBSIRT2SIRT1
SCHEMBL3357401 0.69 AKR1B1 (0.44) POLBRORCSIRT2SIRT1
SCHEMBL3358035 0.68 MC4R (0.35) RORC

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 2 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

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 RIPK1 1674/4885POLB 3780/4885ATM 3105/4885

“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.