SCHEMBL3354954

SCHEMBL3354954

COC(=O)CC1CN(C(=O)OC(C)(C)C)c2cc(Cl)ccc2O1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.51
TP53 P04637 3/20 0.48
THRB P10828 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL3353669 0.89 RORC (0.53) RORCTP53THRBMAPTLMNA
SCHEMBL30929557 0.88 RORC (0.49) RORCTP53MAPTLMNA
SCHEMBL30929581 0.88 RORC (0.49) RORCTP53MAPTLMNA
SCHEMBL22397004 0.87 RORC (0.52) RORCTP53THRBMAPTLMNA
SCHEMBL22396991 0.87 RORC (0.52) RORCTP53THRBMAPTLMNA
SCHEMBL22396988 0.87 RORC (0.52) RORCTP53THRBMAPTLMNA
SCHEMBL22397088 0.83 TP53 (0.46) RORCTP53THRBMAPTLMNA
SCHEMBL22397087 0.83 TP53 (0.46) RORCTP53THRBMAPTLMNA
SCHEMBL22397106 0.83 TP53 (0.46) RORCTP53THRBMAPTLMNA
SCHEMBL22396938 0.79 POLB (0.64) RORCTP53MAPTLMNA

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 RORC 216/4885TP53 4556/4885THRB 3015/4885

“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.