SCHEMBL4179468

SCHEMBL4179468

CC(C)(C)OC(=O)c1ccc(CBr)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 0.37
HDAC4 P56524 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
LMNA P02545 3/20 0.36
PRNP P04156 1/20 0.36
RECQL P46063 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
AKT1 P31749 1/20 0.35
GRM6 O15303 1/20 0.35
PRSS1 P07477 3/20 0.34
TMPRSS15 P98073 3/20 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
SCHEMBL8564545 0.88 HPGD (0.45) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL13141322 0.83 HPGD (0.40) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL13269217 0.83 HPGD (0.40) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL8570240 0.83 HPGD (0.43) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL8549434 0.82 TSHR (0.44) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL5050275 0.81 HPGD (0.42) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL21199747 0.81 POLB (0.46) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL8982459 0.81 HPGD (0.45) HPGDNPSR1TSHRMAPK1ATM
SCHEMBL348559 0.81 LMNA (0.51) HPGDNPSR1TSHRMAPK1ATM
Hydrochloric Acid SCHEMBL5724631 0.80 HPGD (0.41) HPGDNPSR1TSHRMAPK1ATM

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 28 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-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-20150359787-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2015-12-17 US disclosed
US-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 US disclosed
US-9150541-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2015-10-06 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-20090105121-A1 Insulin Derivative NOVO NORDISK A/S (DK) 2009-04-23 US disclosed
US-20090105121-A1 Insulin Derivative NOVO NORDISK A/S (DK) 2009-04-23 US disclosed
US-20090105121-A1 Insulin Derivative NOVO NORDISK A/S (DK) 2009-04-23 US disclosed
EP-2024390-A1 INSULIN DERIVATIVE Novo Nordisk A/S (DK) 2009-02-18 EP disclosed
WO-2007128815-A1 INSULIN DERIVATIVE NOVO NORDISK A/S (DK) 2007-11-15 WO disclosed
WO-2007128815-A1 INSULIN DERIVATIVE NOVO NORDISK A/S (DK) 2007-11-15 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 (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-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 HPGD 1951/4885NPSR1 37/4885TSHR 974/4885
US-20090105121-A1 Insulin Derivative INSR, IAPP, GPR119 HPGD 1980/4885NPSR1 859/4885TSHR 196/4885
US-20150359787-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 HPGD 1951/4885NPSR1 37/4885TSHR 974/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 HPGD 1951/4885NPSR1 37/4885TSHR 974/4885
US-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 HPGD 1580/4885NPSR1 35/4885TSHR 964/4885
US-20190000832-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 HPGD 1951/4885NPSR1 37/4885TSHR 974/4885

“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.