SCHEMBL22818909

SCHEMBL22818909

NC(=O)NC1CCN(c2ncc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 17/20 0.81
▸ KCNH2 Q12809 4/20 0.65

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
SCHEMBL16048038 0.90 AOC3 (1.00) AOC3KCNH2
SCHEMBL16047863 0.81 AOC3 (0.84) AOC3KCNH2
SCHEMBL16049446 0.79 KCNH2 (1.00) AOC3KCNH2
SCHEMBL30025643 0.79 KCNH2 (1.00) AOC3KCNH2
SCHEMBL30026370 0.79 AOC3 (1.00) AOC3KCNH2
SCHEMBL16049029 0.79 AOC3 (1.00) AOC3KCNH2
SCHEMBL20924524 0.76 KCNH2 (0.79) AOC3KCNH2
SCHEMBL16047677 0.75 AOC3 (0.82) AOC3KCNH2
SCHEMBL30026182 0.75 AOC3 (0.82) AOC3KCNH2
SCHEMBL16052839 0.74 AOC3 (1.00) AOC3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200397764-A1 VAP-1 INHIBITORS FOR TREATING PAIN PROXIMAGEN, LLC 2020-12-24 — — 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 (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-20200397764-A1 VAP-1 INHIBITORS FOR TREATING PAIN VAPB, VAPA, OPRL1 AOC3 55/4885KCNH2 1764/4885

“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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