SCHEMBL2932991

SCHEMBL2932991

CC(C)(C)OC(=O)c1cccc(CC#N)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.58
LOXL2 Q9Y4K0 1/20 0.44
NR1H2 P55055 1/20 0.44
CYP4F2 P78329 3/20 0.43
CYP4A11 Q02928 3/20 0.43
ENPP2 Q13822 1/20 0.43
MMP3 P08254 1/20 0.41
CTSS P25774 5/20 0.40
CTSK P43235 4/20 0.40
CTSB P07858 3/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
CTSL P07711 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
KMT2A Q03164 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL11087310 0.87 SLC7A5 (0.59) SLC7A5LOXL2CYP4F2CYP4A11GABRA1
SCHEMBL40562 0.83 LOXL2 (0.64) SLC7A5LOXL2CYP4F2CYP4A11ENPP2
SCHEMBL29539688 0.83 LOXL2 (0.64) SLC7A5LOXL2CYP4F2CYP4A11ENPP2
SCHEMBL12301533 0.83 SLC7A5 (0.65) SLC7A5LOXL2CYP4F2CYP4A11GABRA1
SCHEMBL1368363 0.81 GPR119 (0.48) SLC7A5LOXL2NR1H2CTSSCTSK
SCHEMBL3499880 0.81 SLC7A5 (0.63) SLC7A5LOXL2CYP4F2CYP4A11GABRA1
SCHEMBL7384982 0.81 SLC7A5 (0.63) SLC7A5LOXL2CYP4F2CYP4A11GABRA1
SCHEMBL17349738 0.81 SLC7A5 (0.53) SLC7A5LOXL2CYP4F2CYP4A11GABRA1
SCHEMBL1198816 0.81 CYP4F2 (0.61) LOXL2CYP4F2CYP4A11KMT2A
Water SCHEMBL28897664 0.81 SLC7A5 (0.56) SLC7A5LOXL2CYP4F2CYP4A11GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Selder Pharma Inc. (US) 2019-01-03 US disclosed
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2018-07-10 US disclosed
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2018-07-10 US disclosed
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2018-07-10 US disclosed
US-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2017-07-06 US disclosed
US-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2017-07-06 US disclosed
US-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2017-07-06 US disclosed
US-9526719-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2016-12-27 US disclosed
US-9526719-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2016-12-27 US disclosed
US-9526719-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2016-12-27 US disclosed
EP-2149561-B1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC (US) 2015-09-09 EP disclosed
US-20140058100-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2014-02-27 US disclosed
US-20140058100-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2014-02-27 US disclosed
US-8486970-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2013-07-16 US disclosed
US-8486970-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2013-07-16 US disclosed
US-8486970-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2013-07-16 US disclosed
US-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-09 US disclosed
US-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-09 US disclosed
US-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-09 US disclosed
EP-2149561-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-02-03 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 (5 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-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 SLC7A5 1622/4885LOXL2 4060/4885NR1H2 1334/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 SLC7A5 1622/4885LOXL2 4060/4885NR1H2 1334/4885
US-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 SLC7A5 1523/4885LOXL2 4049/4885NR1H2 1194/4885
US-20140058100-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 SLC7A5 1622/4885LOXL2 4060/4885NR1H2 1334/4885
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 SLC7A5 1622/4885LOXL2 4060/4885NR1H2 1334/4885

“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.