SCHEMBL22637348

SCHEMBL22637348

N#Cc1ccnc(C2CCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.41
DRD3 P35462 2/20 0.41
CHRNA7 P36544 1/20 0.40
MAP3K12 Q12852 7/20 0.39
CTSK P43235 3/20 0.38
CTSS P25774 2/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CYP19A1 P11511 2/20 0.38
USP30 Q70CQ3 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
CSF1R P07333 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 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
SCHEMBL13738629 0.96 CTSK (0.41) DRD2DRD3CHRNA7MAP3K12CTSK
SCHEMBL13496621 0.95 CTSK (0.43) DRD2DRD3MAP3K12CTSKCTSS
SCHEMBL16094779 0.93 MAP3K12 (0.43) DRD2DRD3MAP3K12HCRTR1HCRTR2
SCHEMBL3394052 0.85 CHRNA1 (0.42) DRD2DRD3MAP3K12USP30
SCHEMBL3389679 0.85 CHRNA1 (0.42) DRD2DRD3MAP3K12USP30
SCHEMBL27454689 0.82 CLK4 (0.40) MAP3K12USP30
SCHEMBL5559799 0.80 CLK4 (0.50) DRD2DRD3USP30
SCHEMBL3230699 0.79 MAP3K12 (0.53) MAP3K12CSF1RMAPK8MAPK9MAPK10
SCHEMBL5564307 0.76 CLK4 (0.53) USP30
SCHEMBL23974912 0.74 HDAC8 (0.40) CHRNA7MAP3K12

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-11773088-B2 KCNT1 inhibitors and methods of use PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-03 US disclosed
US-11773088-B2 KCNT1 inhibitors and methods of use PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-03 US disclosed
US-20230167102-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-06-01 US disclosed
US-20230167102-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-06-01 US disclosed
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 US disclosed
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 US disclosed
US-20220135553-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-05-05 US disclosed
CN-114269340-A KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2022-04-01 CN 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

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-20230167102-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 DRD2 2859/4885DRD3 3113/4885CHRNA7 142/4885
US-11773088-B2 KCNT1 inhibitors and methods of use KCNT1, KCNT2, KCNQ2 DRD2 2859/4885DRD3 3113/4885CHRNA7 142/4885
US-20220135553-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 DRD2 2859/4885DRD3 3113/4885CHRNA7 142/4885
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 DRD2 2859/4885DRD3 3113/4885CHRNA7 142/4885

“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.