SCHEMBL25354165

SCHEMBL25354165

O=C(O)NCC(O)CNCCCCNCC(O)CNC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PKM P14618 1/20 0.39
▸ BCHE P06276 4/20 0.35
▸ PAOX Q6QHF9 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA3 P07451 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ CA5B Q9Y2D0 1/20 0.32
▸ GRIN1 Q05586 2/20 0.31
▸ GRIN2A Q12879 2/20 0.31
▸ ALDH1A2 O94788 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ ALDH2 P05091 1/20 0.31

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
SCHEMBL3122891 0.83 CYP2D6 (0.57) CYP2D6CYP2C19BCHE
SCHEMBL25355033 0.77 CYP2D6 (0.41) CYP2D6CYP2C19PKMPAOXCA12
SCHEMBL25354333 0.77 CYP2D6 (0.52) CYP2D6CYP2C19PKMPAOXCA12
SCHEMBL4149074 0.76 KDM4E (0.41) CYP2D6ALDH1A1
SCHEMBL4140218 0.76 KDM4E (0.41) CYP2D6ALDH1A1
SCHEMBL18983144 0.76 ACHE (0.55) —
SCHEMBL16197865 0.73 CYP2D6 (0.52) CYP2D6CYP2C19ALDH1A1
SCHEMBL26985937 0.73 CYP2D6 (0.46) CYP2D6CYP2C19ALDH1A1
SCHEMBL30299043 0.72 MAOA (0.53) CA12CA2CA7CA9
SCHEMBL1221870 0.72 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260109732-A1 LIPID AMINES MODERNATX INC (US) 2026-04-23 — — US disclosed
WO-2023154818-A1 MUCOSAL ADMINISTRATION METHODS AND FORMULATIONS MODERNATX, INC. (US) 2023-08-17 — — WO disclosed
WO-2023076598-A1 LIPID AMINES MODERNATX, INC. (US) 2023-05-04 — — 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-20260109732-A1 LIPID AMINES LDLR, NPC1, PHOSPHO1 CYP2D6 2123/4885CYP2C19 3588/4885PKM 4401/4885

“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.

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