SCHEMBL3236249

SCHEMBL3236249

COc1ccc(CNC(=O)CCC(=O)N2CCc3c(C)cccc3C2c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 4/20 0.43
TP53 P04637 2/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.42
SLC6A9 P48067 1/20 0.42
HCRTR1 O43613 1/20 0.42
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL30796805 1.00 ALDH1A1 (0.47) ALDH1A1GLAKMT2AMEN1TSHR
SCHEMBL30794736 0.92 LMNA (0.46) ALDH1A1KMT2ALMNATP53HTR1A
SCHEMBL3242933 0.92 LMNA (0.46) ALDH1A1KMT2ALMNATP53HTR1A
SCHEMBL30794851 0.90 ALDH1A1 (0.44) ALDH1A1GLAKMT2ATSHRNPC1
SCHEMBL3237782 0.90 ALDH1A1 (0.44) ALDH1A1GLAKMT2ATSHRNPC1
SCHEMBL3238094 0.88 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1NPC1LMNA
SCHEMBL30796107 0.88 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1NPC1LMNA
SCHEMBL3236487 0.87 HDAC8 (0.54) ALDH1A1KMT2ATSHRNPC1LMNA
SCHEMBL30796433 0.87 HDAC8 (0.54) ALDH1A1KMT2ATSHRNPC1LMNA
SCHEMBL30794691 0.83 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1TSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367700-B2 Substituted 4-(1.2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutyric acid amide as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-02-05 US claimed
US-20100152234-A1 Substituted 4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutyric acid amide as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2010-06-17 US claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
US-8367700-B2 Substituted 4-(1.2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutyric acid amide as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-02-05 US disclosed
US-20100152234-A1 Substituted 4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutyric acid amide as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2010-06-17 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 (1 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-20100152234-A1 Substituted 4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutyric acid amide as KCNQ2/3 modulators KCNAB1, KCNQ2, KCNQ1 ALDH1A1 2801/4885GLA 4645/4885KMT2A 330/4885

“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.