SCHEMBL3355538

SCHEMBL3355538

CC(C)(C)OC(=O)N1CCC(C#N)(C(F)(F)c2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.48
JAK2 O60674 6/20 0.45
JAK1 P23458 6/20 0.45
HDAC2 Q92769 2/20 0.43
HDAC1 Q13547 1/20 0.43
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TACR1 P25103 1/20 0.41

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
SCHEMBL3925930 0.80 RORC (0.48) RORCJAK2JAK1HDAC2HDAC1
SCHEMBL13308360 0.79 RORC (0.48) RORCHDAC2HDAC1MAPTMEN1
SCHEMBL3356494 0.78 JAK2 (0.46) RORCJAK2JAK1HDAC2HDAC1
SCHEMBL14636175 0.78 JAK2 (0.46) RORCJAK2JAK1HDAC2HDAC1
SCHEMBL4635533 0.77 JAK2 (0.47) RORCJAK2JAK1HDAC2HDAC1
SCHEMBL4634633 0.76 JAK2 (0.45) RORCJAK2JAK1HDAC2HDAC1
SCHEMBL22719332 0.76 JAK2 (0.47) RORCJAK2JAK1HDAC2HDAC1
SCHEMBL3355811 0.76 JAK2 (0.45) RORCJAK2JAK1HDAC2HDAC1
SCHEMBL7527349 0.74 GPR119 (0.44) RORCJAK2JAK1HDAC2HDAC1
SCHEMBL29995192 0.74 GPR119 (0.44) RORCJAK2JAK1HDAC2HDAC1

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
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

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 216/4885JAK2 664/4885JAK1 1481/4885

“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.