SCHEMBL3352458

SCHEMBL3352458

CC(C)(C)OC(=O)N1CCC(C#N)(Cc2ccc(F)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.44
HDAC2 Q92769 2/20 0.44
JAK2 O60674 7/20 0.44
JAK1 P23458 7/20 0.44
HDAC1 Q13547 2/20 0.42
KDM1A O60341 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL4635533 0.93 JAK2 (0.47) RORCHDAC2JAK2JAK1HDAC1
SCHEMBL22719383 0.83 GPR119 (0.44) JAK2JAK1HDAC1GPR119HDAC8
SCHEMBL22719225 0.83 KMT2A (0.49) JAK2JAK1HDAC1KDM1AGPR119
SCHEMBL22719164 0.82 TACR1 (0.48) RORCJAK2JAK1HDAC1GPR119
SCHEMBL22719180 0.82 JAK2 (0.47) HDAC2JAK2JAK1HDAC1GPR119
SCHEMBL18321414 0.82 JAK2 (0.47) RORCJAK2JAK1HDAC1GPR119
SCHEMBL1002991 0.82 MEN1 (0.52) JAK2JAK1HDAC1KDM1AGPR119
SCHEMBL5811135 0.81 OPRD1 (0.49) JAK2JAK1HDAC1GPR119HDAC8
SCHEMBL22616832 0.81 TACR1 (0.48) RORC
SCHEMBL22719136 0.81 JAK2 (0.47) JAK2JAK1GPR119

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332699-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SAGE THERAPEUTICS, INC. 2022-10-20 US disclosed
EP-3976186-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Sage Therapeutics, Inc. (US) 2022-04-06 EP disclosed
WO-2020243027-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SAGE THERAPEUTICS, INC. (US) 2020-12-03 WO 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
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 (2 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 216/4885HDAC2 1275/4885JAK2 664/4885
US-20220332699-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYP46A1, CYP26A1, CYP21A2 RORC 347/4885HDAC2 1207/4885JAK2 2813/4885

“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.