SCHEMBL24095172

SCHEMBL24095172

NC/C(=C\F)COc1ccc2nc(N3CCCC3)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 18/20 0.50
▸ AOC2 O75106 1/20 0.47
▸ MAOA P21397 1/20 0.45

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
SCHEMBL24095266 0.98 AOC3 (0.50) AOC3AOC2MAOA
SCHEMBL24094929 0.92 AOC3 (0.56) AOC3
SCHEMBL24095107 0.92 AOC3 (0.56) AOC3
SCHEMBL21814766 0.91 AOC3 (0.48) AOC3AOC2MAOA
SCHEMBL21814768 0.91 AOC3 (0.48) AOC3AOC2MAOA
SCHEMBL24094936 0.90 AOC3 (0.53) AOC3AOC2MAOA
SCHEMBL26264156 0.89 AOC3 (0.39) AOC3
SCHEMBL21815171 0.89 AOC3 (0.46) AOC3MAOA
SCHEMBL21815174 0.89 AOC3 (0.46) AOC3MAOA
SCHEMBL24095169 0.87 AOC3 (0.48) AOC3MAOA

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-11787791-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2023-10-17 — — US disclosed
US-20230295140-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2023-09-21 — — US disclosed
US-20210387975-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2021-12-16 — — 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-11787791-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 AOC3 290/4885AOC2 139/4885MAOA 1689/4885
US-20230295140-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 AOC3 290/4885AOC2 139/4885MAOA 1689/4885
US-20210387975-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 AOC3 290/4885AOC2 139/4885MAOA 1689/4885

“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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