SCHEMBL16604751

SCHEMBL16604751

CC(C)(C)OC(=O)NC1CCC(N2CCC(O)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.48
BTK Q06187 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
OGFRL1 Q5TC84 1/20 0.44
JAK1 P23458 4/20 0.43
DRD2 P14416 3/20 0.43
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
CYP2C9 P11712 1/20 0.41
HSD11B1 P28845 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL14414260 0.94 CTSK (0.51) CTSKBTKCA1CA2OPRM1
SCHEMBL17207638 0.92 CTSK (0.49) CTSKBTKCA1CA2OPRM1
SCHEMBL17207727 0.92 CTSK (0.49) CTSKBTKCA1CA2OPRM1
SCHEMBL12794288 0.91 CTSK (0.52) CTSKBTKCA1CA2OPRM1
SCHEMBL3370047 0.91 CTSK (0.56) CTSKBTKCA1CA2OPRM1
SCHEMBL12794285 0.91 CTSK (0.52) CTSKBTKCA1CA2OPRM1
SCHEMBL3208307 0.88 CTSK (0.50) CTSKBTKCA1CA2OPRM1
SCHEMBL1543136 0.88 CTSK (0.50) CTSKBTKCA1CA2OPRM1
SCHEMBL3545803 0.88 CTSK (0.50) CTSKBTKCA1CA2OPRM1
SCHEMBL20438259 0.88 CTSK (0.50) CTSKBTKCA1CA2OPRM1

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-20170035766-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2017-02-09 US disclosed
US-20170035766-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2017-02-09 US disclosed
US-9518065-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2016-12-13 US disclosed
US-9518065-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2016-12-13 US disclosed
US-20150094305-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2015-04-02 US disclosed
US-20150094305-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2015-04-02 US disclosed
WO-2015048281-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2015-04-02 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 (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-20170035766-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 CTSK 1626/4885BTK 14/4885CA1 4779/4885
US-20150094305-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 CTSK 1626/4885BTK 14/4885CA1 4779/4885

“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.