SCHEMBL10325232

SCHEMBL10325232

CN(C)C1CCC(N(CCO)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ASGR1 P07306 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CCR5 P51681 1/20 0.32
HSD11B1 P28845 2/20 0.32
SSTR4 P31391 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
DPP4 P27487 1/20 0.31
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL13641157 1.00 ASGR1 (0.33) ASGR1CA14CCR5HSD11B1SSTR4
SCHEMBL15285331 0.94 CA14 (0.36) ASGR1CA14CCR5HSD11B1SSTR4
SCHEMBL2660690 0.88 CA14 (0.33) ASGR1CA14CCR5HSD11B1SSTR4
SCHEMBL1238808 0.88 CA14 (0.33) ASGR1CA14CCR5HSD11B1SSTR4
SCHEMBL10323856 0.87 CA14 (0.34) ASGR1CA14HSD11B1SSTR4DPP4
SCHEMBL1067463 0.86 EPHX1 (0.36) CA14HSD11B1DPP4
SCHEMBL4914499 0.84 CA14 (0.37) ASGR1CA14CCR5HSD11B1SSTR4
SCHEMBL20674336 0.83 SLC6A4 (0.35) CA14CHRM3
SCHEMBL4711748 0.83 CA14 (0.39) ASGR1CA14CCR5HSD11B1DPP4
SCHEMBL8218482 0.82 NFKB1 (0.34) ASGR1CA14CCR5HSD11B1SSTR4

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
EP-3239154-A1 IRAK INHIBITORS AND USES THEREOF Nimbus Iris, Inc. (US) 2017-11-01 EP disclosed
EP-2663312-B1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2017-10-11 EP disclosed
US-20160296524-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2016-10-13 US disclosed
US-9340554-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2016-05-17 US disclosed
US-20150025093-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2015-01-22 US disclosed
US-8703941-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2014-04-22 US disclosed
EP-2663312-A1 IRAK INHIBITORS AND USES THEREOF Nimbus Iris, Inc. (US) 2013-11-20 EP disclosed
US-20120283238-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2012-11-08 US disclosed
WO-2012097013-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2012-07-19 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 (3 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-20150025093-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 ASGR1 2832/4885CA14 4834/4885CCR5 477/4885
US-20160296524-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 ASGR1 2832/4885CA14 4834/4885CCR5 477/4885
US-20120283238-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 ASGR1 2832/4885CA14 4834/4885CCR5 477/4885

“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.