SCHEMBL22637352

SCHEMBL22637352

O=C(O)c1cc(C(F)(F)F)nn1CCN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRN P28799 4/20 0.44
SORT1 Q99523 4/20 0.44
SIGMAR1 Q99720 1/20 0.42
GAA P10253 1/20 0.41
KLKB1 P03952 2/20 0.41
KDM4E B2RXH2 2/20 0.38
KDM2B Q8NHM5 1/20 0.36
P2RX7 Q99572 1/20 0.36
NPC1 O15118 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL24660176 0.82 ALDH1A1 (0.42) SIGMAR1GAAKDM4ELMNAPOLB
SCHEMBL10447771 0.80 GRN (0.51) GRNSORT1KLKB1KDM4ENPC1
SCHEMBL22637973 0.80 GAA (0.48) GRNSORT1GAAKLKB1POLB
SCHEMBL28943994 0.77 CNR1 (0.50) GRNSORT1KLKB1KDM4ENPC1
SCHEMBL950947 0.76 GRN (0.49) GRNSORT1GAAKLKB1KDM4E
SCHEMBL22637870 0.76 TP53 (0.50) GRNSORT1GAAKLKB1KDM4E
SCHEMBL22637837 0.76 GRN (0.51) GRNSORT1KLKB1KDM4ENPC1
SCHEMBL5067111 0.76 GRN (0.57) GRNSORT1KDM4ENPC1MEN1
SCHEMBL24758363 0.75 GAA (0.44) GRNSORT1GAAKLKB1KDM4E
SCHEMBL29008667 0.75 GRN (0.76) GRNSORT1KLKB1KDM4EPOLB

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-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 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 (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-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 GRN 1516/4885SORT1 2256/4885SIGMAR1 3522/4885

“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.