SCHEMBL969778

SCHEMBL969778

CN(C)C=C1CCN(C(=O)OC(C)(C)C)CC1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.44
NR1H2 P55055 2/20 0.43
ADORA1 P30542 2/20 0.41
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.38
DDB1 Q16531 2/20 0.38
CRBN Q96SW2 2/20 0.38
MAPT P10636 4/20 0.37
PDK4 Q16654 1/20 0.36
KDM4E B2RXH2 2/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GRM5 P41594 1/20 0.34
TGM2 P21980 1/20 0.34

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
SCHEMBL8221953 1.00 ESR2 (0.44) ESR2NR1H2ADORA1USP2SMN1; SMN2
SCHEMBL15820205 1.00 ESR2 (0.44) ESR2NR1H2ADORA1USP2SMN1; SMN2
SCHEMBL24417745 0.90 USP2 (0.43) ESR2NR1H2ADORA1USP2SMN1; SMN2
SCHEMBL1621681 0.90 USP2 (0.43) ESR2NR1H2ADORA1USP2SMN1; SMN2
SCHEMBL785941 0.89 ESR2 (0.44) ESR2NR1H2ADORA1USP2SMN1; SMN2
SCHEMBL803643 0.89 ESR2 (0.44) ESR2NR1H2ADORA1USP2SMN1; SMN2
SCHEMBL785942 0.89 ESR2 (0.44) ESR2NR1H2ADORA1USP2SMN1; SMN2
SCHEMBL827122 0.87 USP2 (0.38) ESR2NR1H2ADORA1USP2SMN1; SMN2
SCHEMBL1528546 0.87 USP2 (0.38) ESR2NR1H2ADORA1USP2SMN1; SMN2
SCHEMBL1528547 0.87 USP2 (0.38) ESR2NR1H2ADORA1USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180298010-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. 2018-10-18 US disclosed
US-20180186798-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. 2018-07-05 US disclosed
US-9908887-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2018-03-06 US disclosed
US-9777008-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-10-03 US disclosed
US-20170114061-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-04-27 US disclosed
US-20160214985-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-07-28 US disclosed
US-9388173-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2016-07-12 US disclosed
EP-2935240-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-10-28 EP disclosed
US-20150133427-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-05-14 US disclosed
US-8906900-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2014-12-09 US disclosed
US-20140228343-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-08-14 US disclosed
WO-2014100695-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 WO disclosed
EP-2681215-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2014-01-08 EP disclosed
WO-2012118850-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-09-07 WO disclosed
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2011-01-06 US disclosed
EP-2162451-A2 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES Neurogen Corporation (US) 2010-03-17 EP disclosed
WO-2009003003-A2 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2008-12-31 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 (7 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-20180298010-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 ESR2 2696/4885NR1H2 688/4885ADORA1 3186/4885
US-20150133427-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 ESR2 2696/4885NR1H2 703/4885ADORA1 3583/4885
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 ESR2 1137/4885NR1H2 143/4885ADORA1 318/4885
US-20160214985-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 ESR2 2696/4885NR1H2 688/4885ADORA1 3186/4885
US-20140228343-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 ESR2 2696/4885NR1H2 703/4885ADORA1 3583/4885
US-20170114061-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 ESR2 2696/4885NR1H2 703/4885ADORA1 3583/4885
US-20180186798-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 ESR2 2696/4885NR1H2 703/4885ADORA1 3583/4885

“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.