SCHEMBL21768149

SCHEMBL21768149

NCC(=CF)COc1ccc(-c2ncccn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 17/20 1.00
AOC2 O75106 3/20 0.65
MAOA P21397 3/20 0.65
MAOB P27338 3/20 0.65
DAO P14920 2/20 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
SCHEMBL21780122 1.00 AOC3 (1.00) AOC3AOC2MAOAMAOBDAO
SCHEMBL21780121 1.00 AOC3 (1.00) AOC3AOC2MAOAMAOBDAO
Hydrochloric Acid SCHEMBL23701836 0.99 AOC3 (0.97) AOC3AOC2MAOAMAOBDAO
Hydrochloric Acid SCHEMBL23701778 0.99 AOC3 (0.97) AOC3AOC2MAOAMAOBDAO
Trifluoroacetic Acid SCHEMBL21768145 0.90 AOC3 (0.81) AOC3AOC2MAOAMAOBDAO
Trifluoroacetic Acid SCHEMBL21768062 0.90 AOC3 (0.81) AOC3AOC2MAOAMAOBDAO
Trifluoroacetic Acid SCHEMBL28901220 0.90 AOC3 (0.81) AOC3AOC2MAOAMAOBDAO
SCHEMBL23718739 0.83 AOC2 (0.81) AOC3AOC2MAOAMAOBDAO
SCHEMBL23718741 0.83 AOC2 (0.81) AOC3AOC2MAOAMAOBDAO
SCHEMBL28901284 0.82 AOC3 (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200087248-A1 Fluoroallylamine Derivative And Use Thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-03-19 US disclosed
EP-3617186-A1 FLUOROALLYLAMINE DERIVATIVE AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP 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-20200087248-A1 Fluoroallylamine Derivative And Use Thereof VAPB, VAPA, SLC28A1 AOC3 6/4885AOC2 16/4885MAOA 25/4885

“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.