SCHEMBL3242980

SCHEMBL3242980

Cc1cccc2c1CCN(C(=O)CCC(=O)NCCc1ccccc1)C2c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.45
HTT P42858 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 2/20 0.41
HHAT Q5VTY9 2/20 0.41
CYP2D6 P10635 2/20 0.41
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
STAT3 P40763 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
SCHEMBL30794897 1.00 LMNA (0.45) LMNAHTTTAAR1POLBL3MBTL1
SCHEMBL3229624 0.94 L3MBTL1 (0.48) LMNAL3MBTL1TP53HHATSTAT3
SCHEMBL30795350 0.94 L3MBTL1 (0.48) LMNAL3MBTL1TP53HHATSTAT3
SCHEMBL30794736 0.90 LMNA (0.46) LMNAL3MBTL1TP53HHATCYP2D6
SCHEMBL3242933 0.90 LMNA (0.46) LMNAL3MBTL1TP53HHATCYP2D6
SCHEMBL30796399 0.90 HHAT (0.43) LMNAHTTHHATCYP2D6STAT3
SCHEMBL3238924 0.90 HHAT (0.43) LMNAHTTHHATCYP2D6STAT3
SCHEMBL30794541 0.89 LMNA (0.46) LMNAHTTTAAR1POLBL3MBTL1
SCHEMBL3237106 0.89 LMNA (0.46) LMNAHTTTAAR1POLBL3MBTL1
SCHEMBL3242998 0.85 HHAT (0.54) LMNAHTTPOLBL3MBTL1HHAT

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 2050/4885HTT 2091/4885TAAR1 2937/4885

“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.