SCHEMBL23718622

SCHEMBL23718622

Cn1ccnc1-c1ccc(OC/C(=C\F)CN)cc1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 20/20 0.61

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
SCHEMBL23718621 1.00 AOC3 (0.61) AOC3
Hydrochloric Acid SCHEMBL23701779 0.99 AOC3 (0.60) AOC3
SCHEMBL20714321 0.81 AOC3 (0.64) AOC3
SCHEMBL20714305 0.81 AOC3 (0.64) AOC3
Hydrochloric Acid SCHEMBL29037063 0.81 AOC3 (0.62) AOC3
Hydrochloric Acid SCHEMBL29037065 0.81 AOC3 (0.62) AOC3
SCHEMBL23718616 0.79 AOC3 (0.70) AOC3
SCHEMBL23718692 0.79 AOC3 (0.70) AOC3
Hydrochloric Acid SCHEMBL23701787 0.78 AOC3 (0.69) AOC3
SCHEMBL23718640 0.78 AOC3 (0.62) AOC3

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-20210238192-A1 VASCULAR ADHESION PROTEIN-1 (VAP-1) MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. 2021-08-05 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-20210238192-A1 VASCULAR ADHESION PROTEIN-1 (VAP-1) MODULATORS AND THERAPEUTIC USES THEREOF VCAM1, VAPB, ICAM1 AOC3 796/4885

“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.