SCHEMBL16217410

SCHEMBL16217410

CC(C)(C)c1ccnc(OC2CCOCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.50
LRRK2 Q5S007 8/20 0.42
LOX P28300 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
ACACB O00763 1/20 0.39
SYK P43405 1/20 0.39
CNR2 P34972 3/20 0.38
TBK1 Q9UHD2 4/20 0.37
IKBKE Q14164 2/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 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
SCHEMBL16450604 0.89 LOX (0.45) HDAC6LOXLOXL2HCRTR1HCRTR2
SCHEMBL17300714 0.86 LOX (0.50) HDAC6LRRK2LOXLOXL2ACACB
SCHEMBL16217367 0.82 ROCK1 (0.45) LOXLOXL2SYKHCRTR1HCRTR2
SCHEMBL16217415 0.81 LRRK2 (0.42) LRRK2LOXLOXL2HCRTR1HCRTR2
SCHEMBL3401548 0.80 HDAC6 (0.50) HDAC6LRRK2LOXLOXL2ACACB
SCHEMBL8277607 0.80 HDAC6 (0.50) HDAC6LRRK2LOXLOXL2ACACB
SCHEMBL9967841 0.78 LIPE (0.40) HDAC6LRRK2SYKCNR2
SCHEMBL22965359 0.78 LOX (0.38) HDAC6LOXLOXL2HCRTR1HCRTR2
SCHEMBL19959032 0.78 LOX (0.38) HDAC6LOXLOXL2HCRTR1HCRTR2
SCHEMBL3323298 0.77 HDAC6 (0.50) HDAC6LRRK2LOXLOXL2ACACB

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210308121-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2021-10-07 US disclosed
US-10980794-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2021-04-20 US disclosed
US-20190343826-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. 2019-11-14 US disclosed
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2019-06-04 US disclosed
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-06-14 US disclosed
US-20180098987-A1 PRMT5 Inhibitors and Uses Thereof Epizyme, Inc. (US) 2018-04-12 US disclosed
US-20180098987-A1 PRMT5 Inhibitors and Uses Thereof Epizyme, Inc. (US) 2018-04-12 US disclosed
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 US disclosed
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 US disclosed
US-9745291-B2 PRMT5 inhibitors containing a dihydro- or tetrahydroisoquinoline and uses thereof Epizyme, Inc. (US) 2017-08-29 US disclosed
US-9604930-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-03-28 US disclosed
US-20170027935-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-02-02 US disclosed
US-20170027935-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-02-02 US disclosed
US-9365519-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2016-06-14 US disclosed
US-20150361042-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-17 US disclosed
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-03 US disclosed
US-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2015-12-03 US disclosed
US-20150252031-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-09-10 US disclosed
US-8993555-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2015-03-31 US disclosed
US-20140329794-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-11-06 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 (13 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-20210308121-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 HDAC6 125/4885LRRK2 325/4885LOX 2985/4885
US-20150252031-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 HDAC6 125/4885LRRK2 325/4885LOX 2985/4885
US-20190343826-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 HDAC6 177/4885LRRK2 287/4885LOX 3914/4885
US-20180098987-A1 PRMT5 Inhibitors and Uses Thereof PRMT5, PRMT1, PRMT6 HDAC6 125/4885LRRK2 325/4885LOX 2985/4885
US-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 HDAC6 179/4885LRRK2 362/4885LOX 3669/4885
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT3 HDAC6 177/4885LRRK2 287/4885LOX 3914/4885
US-20140329794-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 HDAC6 125/4885LRRK2 325/4885LOX 2985/4885
US-20150361042-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 HDAC6 119/4885LRRK2 323/4885LOX 3025/4885
US-20170027935-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 HDAC6 125/4885LRRK2 325/4885LOX 2985/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 HDAC6 177/4885LRRK2 287/4885LOX 3914/4885
US-10980794-B2 PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT6 HDAC6 125/4885LRRK2 325/4885LOX 2985/4885
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 HDAC6 179/4885LRRK2 362/4885LOX 3669/4885
US-20150344434-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 HDAC6 185/4885LRRK2 299/4885LOX 3995/4885

“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.