SCHEMBL17072669

SCHEMBL17072669

CCc1ccnc(OC2CCNCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 2/20 0.54
LOXL2 Q9Y4K0 2/20 0.54
ROCK1 Q13464 1/20 0.45
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
SYK P43405 2/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
HRH1 P35367 3/20 0.39
EP300 Q09472 1/20 0.39
IKBKB O14920 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
KHK P50053 1/20 0.38
WNT1 P04628 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL20890609 0.89 LOXL2 (0.60) LOXLOXL2HCRTR1HCRTR2NOS3
SCHEMBL17308336 0.86 LOX (0.66) LOXLOXL2HCRTR1HCRTR2NOS3
SCHEMBL16220848 0.82 LOX (0.54) LOXLOXL2HCRTR1HCRTR2NOS3
SCHEMBL17308301 0.81 LOX (0.52) LOXLOXL2HCRTR1HCRTR2NOS3
SCHEMBL15829858 0.80 SYK (0.48) LOXLOXL2ROCK1HCRTR1HCRTR2
SCHEMBL12093076 0.79 LOXL2 (0.50) LOXLOXL2HCRTR1HCRTR2NOS3
SCHEMBL20890038 0.79 LOXL2 (0.49) LOXLOXL2HCRTR1HCRTR2NOS3
Hydrochloric Acid SCHEMBL5335017 0.79 SYK (0.47) LOXLOXL2ROCK1HCRTR1HCRTR2
SCHEMBL28664238 0.78 ROCK1 (0.49) LOXLOXL2ROCK1HCRTR1HCRTR2
SCHEMBL12147179 0.78 TDO2 (0.45) ROCK1HRH1EP300IKBKBSLC6A2

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-10421743-B2 Tetrahydroisoquinolines as PRMT5 inhibitors CTXT PTY LTD (AU) 2019-09-24 US disclosed
US-10391089-B2 PRMT5 inhibitors and uses therof Epizyme, Inc. (US) 2019-08-27 US disclosed
US-20190071425-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS CTXT PTY LTD (AU) 2019-03-07 US disclosed
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-19 US disclosed
US-9365519-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2016-06-14 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20150252031-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 LOX 2985/4885LOXL2 3563/4885ROCK1 460/4885
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 LOX 4693/4885LOXL2 4651/4885ROCK1 829/4885
US-10391089-B2 PRMT5 inhibitors and uses therof PRMT5, PRMT1, PRMT6 LOX 2455/4885LOXL2 3131/4885ROCK1 1137/4885
US-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 LOX 3669/4885LOXL2 3925/4885ROCK1 485/4885
US-20190071425-A1 TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 LOX 4775/4885LOXL2 4758/4885ROCK1 888/4885
US-10421743-B2 Tetrahydroisoquinolines as PRMT5 inhibitors PRMT5, PRMT1, PRMT3 LOX 4775/4885LOXL2 4758/4885ROCK1 888/4885

“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.