SCHEMBL19085130

SCHEMBL19085130

CC(C)(C)OC(=O)Nc1cccc(CCNC=O)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.40
CCR2 P41597 1/20 0.39
GLS O94925 1/20 0.37
NQO2 P16083 1/20 0.37
LCK P06239 2/20 0.36
MAPK8 P45983 1/20 0.36
APP P05067 2/20 0.36
SCN9A Q15858 2/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA4 P43681 2/20 0.35
TGFBR1 P36897 1/20 0.35
SREBF2 Q12772 1/20 0.35
CYP17A1 P05093 1/20 0.34
ATR Q13535 1/20 0.34
BCHE P06276 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
SCHEMBL28580348 0.86 NQO2 (0.49) NR3C2CCR2NQO2BCHE
SCHEMBL6320838 0.83 NR3C2 (0.43) NR3C2CCR2GLSNQO2LCK
SCHEMBL29952585 0.82 CCR2 (0.42) NR3C2CCR2GLSLCKMAPK8
SCHEMBL6492788 0.82 NR3C2 (0.45) NR3C2CCR2GLSNQO2LCK
SCHEMBL23666952 0.81 NR3C2 (0.42) NR3C2CCR2GLSNQO2LCK
Hydrochloric Acid SCHEMBL28586309 0.81 NR3C2 (0.44) NR3C2CCR2GLSNQO2LCK
SCHEMBL4076010 0.80 CHRNB2 (0.51) NR3C2CCR2LCKMAPK8SCN9A
SCHEMBL465792 0.80 CCR2 (0.42) NR3C2CCR2GLSLCKMAPK8
SCHEMBL30396325 0.80 CCR2 (0.42) NR3C2CCR2GLSLCKMAPK8
SCHEMBL4715049 0.80 NR3C2 (0.44) NR3C2CCR2GLSLCKMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (2 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 NR3C2 210/4885CCR2 814/4885GLS 2832/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 NR3C2 210/4885CCR2 814/4885GLS 2832/4885

“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.