SCHEMBL26054880

SCHEMBL26054880

O=C(c1cnco1)N1CCc2[nH]cnc2[C@H]1c1nc2cccc(F)c2s1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.34
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
HSD11B1 P28845 2/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL26058663 0.90 AOC3 (0.36) AOC3CNR1CNR2CHRNB2CHRNB4
SCHEMBL26054765 0.87 AOC3 (0.34) AOC3CNR1CNR2UBE2MDCUN1D1
SCHEMBL31596204 0.86 GRM5 (0.36) AOC3UBE2MDCUN1D1HSD11B1POLB
SCHEMBL26054975 0.85 UBE2M (0.33) AOC3UBE2MDCUN1D1CHRNB2CHRNB4
SCHEMBL26054886 0.84 UBE2M (0.35) AOC3UBE2MDCUN1D1HSD11B1MAPT
SCHEMBL26067827 0.83 AOC3 (0.34) AOC3CNR1CNR2CHRNB2CHRNB4
SCHEMBL26053991 0.82 GRM5 (0.34) AOC3UBE2MDCUN1D1HSD11B1
SCHEMBL31596183 0.81 UBE2M (0.32) AOC3UBE2MDCUN1D1HSD11B1
SCHEMBL31595675 0.81 NPC1 (0.37) AOC3UBE2MDCUN1D1POLBMAPT
SCHEMBL26055260 0.81 AOC3 (0.33) AOC3UBE2MDCUN1D1HSD11B1

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-20250171438-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2025-05-29 US disclosed
WO-2023164237-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 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-20250171438-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 AOC3 2995/4885CNR1 4489/4885CNR2 4637/4885

“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.