SCHEMBL3243036

SCHEMBL3243036

O=C(CCC(=O)N1CCc2ccccc2C1c1ccccc1)NCc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HHAT Q5VTY9 3/20 0.51
▸ CYP2D6 P10635 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ HPGD P15428 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ HDAC8 Q9BY41 3/20 0.47
▸ HDAC3 O15379 2/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ NCOR2 Q9Y618 2/20 0.47
▸ TRPM8 Q7Z2W7 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ ITGB3 P05106 1/20 0.44

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
SCHEMBL30824642 1.00 HHAT (0.51) HHATCYP2D6L3MBTL1HPGDSMN1; SMN2
SCHEMBL3238034 0.89 L3MBTL1 (0.45) HHATCYP2D6L3MBTL1HPGDSMN1; SMN2
SCHEMBL30794795 0.89 L3MBTL1 (0.45) HHATCYP2D6L3MBTL1HPGDSMN1; SMN2
SCHEMBL30814179 0.86 L3MBTL1 (0.46) HHATCYP2D6L3MBTL1HPGDSMN1; SMN2
SCHEMBL3235204 0.86 L3MBTL1 (0.46) HHATCYP2D6L3MBTL1HPGDSMN1; SMN2
SCHEMBL3240992 0.86 HHAT (0.56) HHATCYP2D6HDAC8HDAC3HDAC1
SCHEMBL30824751 0.86 HHAT (0.56) HHATCYP2D6HDAC8HDAC3HDAC1
SCHEMBL30795434 0.85 HHAT (0.52) HHATCYP2D6GAAHDAC8HDAC3
SCHEMBL3236277 0.85 HHAT (0.52) HHATCYP2D6GAAHDAC8HDAC3
SCHEMBL3242804 0.83 KMT2A (0.45) L3MBTL1HPGDSMN1; SMN2ALOX15TDP1

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 7 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
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 — — EP disclosed
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 HHAT 2690/4885CYP2D6 611/4885L3MBTL1 3551/4885

“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.

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