SCHEMBL3243040

SCHEMBL3243040

CC1c2ccccc2CCN1C(=O)CCC(=O)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
P2RX7 Q99572 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 2/20 0.44
CCR2 P41597 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PLA2G1B P04054 1/20 0.42
PKM P14618 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL30795036 1.00 DRD1 (0.48) DRD1HDAC1HDAC8P2RX7KMT2A
SCHEMBL3244115 0.89 HDAC1 (0.45) HDAC1HDAC8P2RX7KMT2AMEN1
SCHEMBL30795865 0.89 HDAC1 (0.45) HDAC1HDAC8P2RX7KMT2AMEN1
SCHEMBL3235258 0.88 HDAC1 (0.48) HDAC1HDAC8P2RX7KMT2AMEN1
SCHEMBL30795582 0.88 HDAC1 (0.48) HDAC1HDAC8P2RX7KMT2AMEN1
SCHEMBL3236404 0.87 HDAC1 (0.54) HDAC1HDAC8
SCHEMBL30814250 0.87 HDAC1 (0.54) HDAC1HDAC8
SCHEMBL3238946 0.86 HDAC1 (0.49) HDAC1HDAC8P2RX7KMT2AMEN1
SCHEMBL30796495 0.86 HDAC1 (0.49) HDAC1HDAC8P2RX7KMT2AMEN1
SCHEMBL3229646 0.85 KCNH2 (0.54) HDAC8HRH3

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 DRD1 4058/4885HDAC1 1884/4885HDAC8 1358/4885

“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.