SCHEMBL3229592

SCHEMBL3229592

O=C(CCC(=O)N1CCc2ccccc2C1c1ccccc1)Nc1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HHAT Q5VTY9 4/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HDAC8 Q9BY41 3/20 0.49
▸ HDAC3 O15379 2/20 0.49
▸ HDAC1 Q13547 2/20 0.49
▸ HDAC2 Q92769 2/20 0.49
▸ NCOR2 Q9Y618 2/20 0.49
▸ MAPT P10636 1/20 0.48
▸ TRPM8 Q7Z2W7 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ DRD1 P21728 1/20 0.45
▸ CHRM2 P08172 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ CHRM3 P20309 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
SCHEMBL30795471 1.00 HHAT (0.53) HHATCYP2D6L3MBTL1HDAC8HDAC3
SCHEMBL3242955 0.88 TP53 (0.50) HHATCYP2D6L3MBTL1MEN1KMT2A
SCHEMBL30795291 0.88 TP53 (0.50) HHATCYP2D6L3MBTL1MEN1KMT2A
SCHEMBL3242167 0.85 POLB (0.43) HHATMEN1KMT2A
SCHEMBL30795671 0.85 POLB (0.43) HHATMEN1KMT2A
SCHEMBL30796669 0.84 HHAT (0.52) HHATCYP2D6HDAC8HDAC3HDAC1
SCHEMBL3240044 0.84 HHAT (0.52) HHATCYP2D6HDAC8HDAC3HDAC1
SCHEMBL3236386 0.82 HHAT (0.48) HHATCYP2D6L3MBTL1HDAC8HDAC3
SCHEMBL30794931 0.82 HHAT (0.48) HHATCYP2D6L3MBTL1HDAC8HDAC3
SCHEMBL3242926 0.82 TP53 (0.45) L3MBTL1MAPTMEN1KMT2A

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 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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