SCHEMBL25295307

SCHEMBL25295307

O=C(NCc1ccnc(-n2cnc(C(F)(F)F)c2)c1)N[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ EPHX2 P34913 3/20 0.46
▸ MAOA P21397 3/20 0.41
▸ KDM1A O60341 3/20 0.41
▸ MAOB P27338 2/20 0.41
▸ PAK4 O96013 3/20 0.39
▸ TLR2 O60603 3/20 0.37
▸ TLR1 Q15399 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ MET P08581 1/20 0.36

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
SCHEMBL25304830 0.86 CA1 (0.48) CA1CA2CA9EPHX2MAOA
SCHEMBL25297036 0.85 CA1 (0.56) CA1CA2CA9EPHX2MAOA
SCHEMBL25613761 0.83 EPHX2 (0.41) EPHX2
SCHEMBL30398988 0.83 EPHX2 (0.41) EPHX2
SCHEMBL25304538 0.83 EPHX2 (0.50) CA1CA2CA9EPHX2MAOA
SCHEMBL30399042 0.82 GCG (0.37) —
SCHEMBL25613749 0.82 GCG (0.37) —
SCHEMBL25303126 0.82 EPHX1 (0.38) —
SCHEMBL25303130 0.82 EPHX1 (0.38) —
SCHEMBL25297058 0.81 PAK4 (0.38) EPHX2MAOAKDM1AMAOBPAK4

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
EP-4452944-A1 CYCLOPROPYL COMPOUNDS Icagen, LLC (US) 2024-10-30 — — EP disclosed
US-20240336571-A1 NOVEL CYCLOPROPYL COMPOUNDS ANGELINI PHARMA S.P.A. (IT) 2024-10-10 — — US disclosed
WO-2023121992-A1 CYCLOPROPYL COMPOUNDS ICAGEN, LLC (US) 2023-06-29 — — WO disclosed
WO-2023121992-A1 CYCLOPROPYL COMPOUNDS ICAGEN, LLC (US) 2023-06-29 — — 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-20240336571-A1 NOVEL CYCLOPROPYL COMPOUNDS C1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CNR1 CA1 2344/4885CA2 1504/4885CA9 1089/4885

“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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