SCHEMBL3924934

SCHEMBL3924934

CC(C)Oc1cc(C#N)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.47
MGLL Q99685 1/20 0.43
HCRTR2 O43614 4/20 0.39
HCRTR1 O43613 2/20 0.39
MAP3K12 Q12852 1/20 0.37
GRM5 P41594 2/20 0.37
EIF4E P06730 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
XDH P47989 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36

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
SCHEMBL30117145 0.82 CYP11B1 (0.41) ACACBMGLLHCRTR2HCRTR1GRM5
SCHEMBL25417413 0.82 CYP11B1 (0.41) ACACBMGLLHCRTR2HCRTR1GRM5
SCHEMBL10164882 0.82 HCRTR2 (0.43) ACACBMGLLHCRTR2HCRTR1GRM5
SCHEMBL5262266 0.81 MAP3K12 (0.48) MGLLHCRTR2HCRTR1MAP3K12HRH3
SCHEMBL447719 0.79 LOX (0.47) ACACBHCRTR2HCRTR1GRM5CLK4
SCHEMBL29867993 0.79 LOX (0.47) ACACBHCRTR2HCRTR1GRM5CLK4
SCHEMBL6247699 0.79 ACACB (0.37) ACACBMGLLHCRTR2HCRTR1GRM5
SCHEMBL446431 0.79 MGLL (0.42) ACACBMGLLHCRTR2HCRTR1MAP3K12
SCHEMBL447841 0.79 MGLL (0.50) MGLLHCRTR2HCRTR1MAP3K12HRH3
SCHEMBL4930416 0.76 GABRG2 (0.49) ACACBMGLLHCRTR2HCRTR1GRM5

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583849-B2 KCNT1 inhibitors and methods of use PRAXIS PRECISION MEDICINES, INC. (US) 2026-03-24 US disclosed
EP-4692069-A2 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2026-02-11 EP disclosed
EP-4110317-B1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PREC MEDICINES INC (US) 2025-11-19 EP disclosed
US-20230167102-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-06-01 US disclosed
EP-4110317-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2023-01-04 EP disclosed
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 US disclosed
EP-3962481-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2022-03-09 EP disclosed
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 WO disclosed
US-7541466-B2 Tetrahydroisoquinoline derivatives for treating protein trafficking diseases GENZYME CORPORATION (US) 2009-06-02 US disclosed
US-20050176761-A1 Tetrahydroisoquinoline derivatives for treating protein trafficking diseases GENZYME CORPORATION (US) 2005-08-11 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 (4 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-12583849-B2 KCNT1 inhibitors and methods of use KCNT1, SCN1A, KCNT2 ACACB 2088/4885MGLL 2724/4885HCRTR2 517/4885
US-20230167102-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 ACACB 3348/4885MGLL 4133/4885HCRTR2 751/4885
US-20050176761-A1 Tetrahydroisoquinoline derivatives for treating protein trafficking diseases CFTR, NPC1L1, GOLT1B ACACB 1811/4885MGLL 1778/4885HCRTR2 1766/4885
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 ACACB 3348/4885MGLL 4133/4885HCRTR2 751/4885

“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.