SCHEMBL4134838

SCHEMBL4134838

O=C(O)c1cc(C(F)(F)F)nn1Cc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRN P28799 7/20 0.74
SORT1 Q99523 7/20 0.74
KLKB1 P03952 1/20 0.54
NPSR1 Q6W5P4 3/20 0.51
GAA P10253 4/20 0.50
MAPT P10636 3/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 2/20 0.49
AGTR1 P30556 1/20 0.49
AGTR2 P50052 1/20 0.48
RECQL P46063 1/20 0.48
NPC1 O15118 1/20 0.48
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL22637502 0.89 GRN (0.59) GRNSORT1KLKB1NPSR1GAA
SCHEMBL22637715 0.87 SORT1 (0.57) GRNSORT1KLKB1NPSR1GAA
SCHEMBL29478786 0.87 SORT1 (0.57) GRNSORT1KLKB1NPSR1GAA
SCHEMBL29008667 0.86 GRN (0.76) GRNSORT1KLKB1POLBTSHR
SCHEMBL3069753 0.85 GRN (1.00) GRNSORT1NPSR1GAAMAPT
SCHEMBL2688186 0.84 GRN (0.57) GRNSORT1KLKB1NPSR1GAA
SCHEMBL22637701 0.83 POLB (0.67) GRNSORT1NPSR1GAAMAPT
SCHEMBL15148105 0.80 GRN (0.48) GRNSORT1KLKB1NPSR1GAA
SCHEMBL19779588 0.78 CCR9 (0.51) GRNSORT1KLKB1ALDH1A1NPC1
SCHEMBL2455065 0.78 GRN (0.64) GRNSORT1POLBMEN1HPGD

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 19 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
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 WO disclosed
US-20090143375-A1 Tricyclic Lactam Derivatives, Their Manufacture and Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
US-20090143375-A1 Tricyclic Lactam Derivatives, Their Manufacture and Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
US-20090143375-A1 Tricyclic Lactam Derivatives, Their Manufacture and Use as Pharmaceutical Agents F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
CN-101321762-A Tricyclic lactam derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-12-10 CN disclosed
EP-1966213-A1 TRICYCLIC LACTAM DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
US-7285569-B2 Tricycles, their manufacture and use as pharmaceutical agents HOFF HOFFMANN-LA ROCHE INC. (US) 2007-10-23 US disclosed
US-7285569-B2 Tricycles, their manufacture and use as pharmaceutical agents HOFF HOFFMANN-LA ROCHE INC. (US) 2007-10-23 US disclosed
US-7285569-B2 Tricycles, their manufacture and use as pharmaceutical agents HOFF HOFFMANN-LA ROCHE INC. (US) 2007-10-23 US disclosed
CN-101027055-A Tricycles, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-08-29 CN disclosed
WO-2007068465-A1 TRICYCLIC LACTAM DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
WO-2007068465-A1 TRICYCLIC LACTAM DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
EP-1793822-A1 TRICYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2007-06-13 EP disclosed
WO-2006032519-A1 TRICYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 WO disclosed
US-20060069145-A1 Tricycles, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-03-30 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 (3 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-20090143375-A1 Tricyclic Lactam Derivatives, Their Manufacture and Use as Pharmaceutical Agents AAAS, CYP3A5, BRCA1 GRN 2313/4885SORT1 4257/4885KLKB1 4370/4885
US-20060069145-A1 Tricycles, their manufacture and use as pharmaceutical agents ABCB1, CYP3A43, CYP3A5 GRN 994/4885SORT1 1663/4885KLKB1 2440/4885
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 GRN 1516/4885SORT1 2256/4885KLKB1 1348/4885

“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.