SCHEMBL2223734

SCHEMBL2223734

CC(F)CN1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.49
KCNA3 P22001 1/20 0.48
DRD2 P14416 4/20 0.44
CCR5 P51681 1/20 0.43
BTK Q06187 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD11B1 P28845 1/20 0.42
EPHX1 P07099 2/20 0.41
DRD3 P35462 1/20 0.40
USP14 P54578 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HRH2 P25021 2/20 0.39
HRH1 P35367 2/20 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
SCHEMBL1560161 0.90 CTSK (0.50) CTSKKCNA3DRD2CCR5BTK
SCHEMBL12228102 0.89 CTSK (0.51) CTSKKCNA3DRD2CCR5BTK
SCHEMBL2226210 0.87 CTSK (0.50) CTSKKCNA3DRD2CCR5BTK
SCHEMBL620002 0.83 CTSK (0.49) CTSKKCNA3DRD2CCR5BTK
SCHEMBL2225599 0.83 CTSK (0.55) CTSKKCNA3DRD2CCR5BTK
SCHEMBL1700232 0.82 CTSK (0.54) CTSKKCNA3CCR5BTKCA1
SCHEMBL1700233 0.82 CTSK (0.54) CTSKKCNA3CCR5BTKCA1
SCHEMBL1700512 0.82 CTSK (0.54) CTSKKCNA3CCR5BTKCA1
SCHEMBL3489553 0.82 CTSK (0.45) CTSKKCNA3DRD2CCR5BTK
SCHEMBL3965693 0.81 CTSK (0.55) CTSKKCNA3DRD2CCR5BTK

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 CTSK 1592/4885KCNA3 3578/4885DRD2 3564/4885

“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.