SCHEMBL4327248

SCHEMBL4327248

CC(C)(C)OC(=O)N1CCN(CC2CNCCO2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RECQL P46063 1/20 0.40
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
HPGD P15428 1/20 0.36
PARP1 P09874 1/20 0.36
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL609609 0.81 USP2 (0.50) USP2SMN1; SMN2RECQLCHRM2CHRM4
SCHEMBL608185 0.81 USP2 (0.50) USP2SMN1; SMN2RECQLCHRM2CHRM4
SCHEMBL608264 0.81 USP2 (0.50) USP2SMN1; SMN2RECQLCHRM2CHRM4
SCHEMBL4312685 0.79 USP2 (0.46) USP2SMN1; SMN2RECQLCHRM2CHRM4
SCHEMBL5240935 0.78 CNR1 (0.43) USP2SMN1; SMN2RECQLCHRM2CHRM4
SCHEMBL25572001 0.78 CNR1 (0.43) USP2SMN1; SMN2RECQLCHRM2CHRM4
SCHEMBL30706198 0.78 CNR1 (0.43) USP2SMN1; SMN2RECQLCHRM2CHRM4
SCHEMBL9066841 0.78 RECQL (0.49) USP2SMN1; SMN2RECQLMAPTKDM4E
SCHEMBL25572000 0.78 CNR1 (0.43) USP2SMN1; SMN2RECQLCHRM2CHRM4
SCHEMBL19853552 0.78 CNR1 (0.41) USP2SMN1; SMN2RECQLCHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275063-A1 NEW ENZYME INHIBITOR COMPOUNDS PROXIMAGEN LIMITED (GB) 2014-09-18 US disclosed
EP-2755975-A1 NEW ENZYME INHIBITOR COMPOUNDS Proximagen Limited (GB) 2014-07-23 EP disclosed
WO-2013038189-A1 NEW ENZYME INHIBITOR COMPOUNDS PROXIMAGEN LTD. (GB) 2013-03-21 WO disclosed
US-7524852-B2 Bicyclic pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-04-28 US disclosed
US-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection KYOWA HAKKO KIRIN CO., LTD. (JP) 2007-02-15 US disclosed
EP-1552842-A1 BICYCLIC PYRIMIDINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-07-13 EP 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-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection CX3CR1, CCL5, CCRL2 USP2 4807/4885SMN1; SMN2 4492/4885RECQL 2882/4885
US-20140275063-A1 NEW ENZYME INHIBITOR COMPOUNDS XDH, MAOB, MAOA USP2 626/4885SMN1; SMN2 2398/4885RECQL 500/4885

“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.