SCHEMBL3242933

SCHEMBL3242933

Cc1cccc2c1CCN(C(=O)CCC(=O)NCc1ccccc1)C2c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.46
TP53 P04637 3/20 0.46
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HHAT Q5VTY9 3/20 0.42
CYP2D6 P10635 2/20 0.42
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
STAT3 P40763 1/20 0.41
KIF11 P52732 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL30794736 1.00 LMNA (0.46) LMNATP53ALDH1A1SMN1; SMN2HHAT
SCHEMBL30796805 0.92 ALDH1A1 (0.47) LMNATP53ALDH1A1KMT2AHTR1A
SCHEMBL3236249 0.92 ALDH1A1 (0.47) LMNATP53ALDH1A1KMT2AHTR1A
SCHEMBL30794897 0.90 LMNA (0.45) LMNATP53HHATCYP2D6STAT3
SCHEMBL3242980 0.90 LMNA (0.45) LMNATP53HHATCYP2D6STAT3
SCHEMBL30795350 0.89 L3MBTL1 (0.48) LMNATP53SMN1; SMN2HHATKMT2A
SCHEMBL3229624 0.89 L3MBTL1 (0.48) LMNATP53SMN1; SMN2HHATKMT2A
SCHEMBL30795885 0.88 LMNA (0.45) LMNATP53ALDH1A1SMN1; SMN2HHAT
SCHEMBL3235177 0.88 LMNA (0.45) LMNATP53ALDH1A1SMN1; SMN2HHAT
SCHEMBL3238924 0.88 HHAT (0.43) LMNAALDH1A1HHATCYP2D6STAT3

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 LMNA 2050/4885TP53 4703/4885ALDH1A1 2801/4885

“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.