SCHEMBL3235258

SCHEMBL3235258

Cc1ccccc1C1c2ccccc2CCN1C(=O)CCC(=O)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
P2RX7 Q99572 1/20 0.44
TRPM8 Q7Z2W7 4/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
HDAC3 O15379 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL30795582 1.00 HDAC1 (0.48) HDAC1HDAC8P2RX7TRPM8KMT2A
SCHEMBL30795440 0.94 HDAC1 (0.42) HDAC1HDAC8P2RX7KMT2AL3MBTL1
SCHEMBL3231700 0.94 HDAC1 (0.42) HDAC1HDAC8P2RX7KMT2AL3MBTL1
SCHEMBL30796495 0.90 HDAC1 (0.49) HDAC1HDAC8P2RX7TRPM8KMT2A
SCHEMBL3238946 0.90 HDAC1 (0.49) HDAC1HDAC8P2RX7TRPM8KMT2A
SCHEMBL30794383 0.90 TRPM8 (0.49) HDAC1HDAC8TRPM8HDAC3NCOR2
SCHEMBL3231218 0.90 TRPM8 (0.49) HDAC1HDAC8TRPM8HDAC3NCOR2
SCHEMBL3236404 0.90 HDAC1 (0.54) HDAC1HDAC8TRPM8HDAC3NCOR2
SCHEMBL30814250 0.90 HDAC1 (0.54) HDAC1HDAC8TRPM8HDAC3NCOR2
SCHEMBL2309387 0.89 NPC1 (0.42) HDAC1HDAC8P2RX7KMT2AL3MBTL1

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 4 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
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 HDAC1 1884/4885HDAC8 1358/4885P2RX7 675/4885

“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.