SCHEMBL2224304

SCHEMBL2224304

[CH2]C(=O)NC1CCC(F)(F)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
KDM1A O60341 9/20 0.39
NAMPT P43490 1/20 0.37
CNR1 P21554 1/20 0.37
MAOB P27338 4/20 0.36
MAOA P21397 1/20 0.35
CD38 P28907 1/20 0.35
HSD11B1 P28845 1/20 0.35
RCOR1 Q9UKL0 1/20 0.34
IDO1 P14902 1/20 0.34
EPHX1 P07099 3/20 0.33

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
SCHEMBL2772737 0.80 EPHX2 (0.51) EPHX2KDM1ANAMPTCNR1MAOB
SCHEMBL12437203 0.78 EPHX2 (0.59) EPHX2KDM1ANAMPTCNR1MAOB
SCHEMBL423969 0.78
SCHEMBL24710487 0.77 EPHX2 (0.49) EPHX2KDM1ANAMPTCNR1MAOB
SCHEMBL27910624 0.75 EPHX2 (0.51) EPHX2KDM1ANAMPTCNR1MAOB
SCHEMBL16538343 0.75 EPHX2 (0.56) EPHX2KDM1ACNR1MAOBMAOA
SCHEMBL15445282 0.75 EPHX2 (0.47) EPHX2KDM1ANAMPTCNR1MAOB
SCHEMBL429506 0.74
SCHEMBL425451 0.74
SCHEMBL23573493 0.74 EPHX2 (0.46) EPHX2KDM1ANAMPTCNR1MAOB

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 9 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 claimed
WO-2013007768-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF AS JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO claimed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP claimed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US claimed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO claimed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
WO-2013007768-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF AS JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO disclosed
WO-2012085176-A1 TRICYCLIC PYRAZINONE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF AS JANUS KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-28 WO disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 EPHX2 669/4885KDM1A 1324/4885NAMPT 1569/4885

“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.