SCHEMBL25599989

SCHEMBL25599989

CC(C)(C)OC(=O)N1CCCC1c1ccc(N)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.45
WNT3 P56703 2/20 0.43
SFRP1 Q8N474 2/20 0.43
NPC1 O15118 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
UCHL1 P09936 2/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
PTGES O14684 2/20 0.40

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
SCHEMBL2695856 0.86 NR1H2 (0.46) NR1H2NPC1NPSR1LMNAMEN1
SCHEMBL1922847 0.86 NR1H2 (0.46) NR1H2NPC1NPSR1LMNAMEN1
SCHEMBL25594973 0.85 LMNA (0.48) NR1H2NPC1NPSR1LMNAMAPT
SCHEMBL28176885 0.83 SLC9A1 (0.44) NR1H2
SCHEMBL15553805 0.81 SLC9A1 (0.50) NR1H2MAPT
SCHEMBL13628052 0.80 NR1H2 (0.45) NR1H2NPC1NPSR1LMNAMEN1
SCHEMBL17041234 0.79 RIPK1 (0.50) NPC1NPSR1LMNAMAPTUCHL1
SCHEMBL28529044 0.79 NPC1 (0.46) WNT3SFRP1NPC1NPSR1LMNA
SCHEMBL21198773 0.79 RIPK1 (0.53) NR1H2NPC1NPSR1LMNAMAPT
SCHEMBL21207072 0.79 RIPK1 (0.53) NR1H2NPC1NPSR1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS SCHRÖDINGER, INC. 2023-06-01 US disclosed
WO-2023086319-A1 6-HE TERO ARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2023-05-19 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-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B NR1H2 4625/4885WNT3 1198/4885SFRP1 3274/4885

“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.