SCHEMBL21780091

SCHEMBL21780091

C=C(CN)COc1ccc2c(c1)CCN(Cc1ccccc1)C2=O

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 11/20 0.56
▸ ITGB3 P05106 8/20 0.55
▸ ITGA2B P08514 8/20 0.55
▸ GRM5 P41594 1/20 0.54

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
SCHEMBL21780095 0.83 AOC3 (0.72) AOC3ITGB3ITGA2B
SCHEMBL21780109 0.81 ITGB3 (0.44) AOC3ITGB3ITGA2B
SCHEMBL21845102 0.80 AOC3 (0.70) AOC3ITGB3ITGA2B
SCHEMBL29438690 0.79 GRM5 (0.62) ITGB3ITGA2BGRM5
SCHEMBL4502402 0.79 GRM5 (0.62) ITGB3ITGA2BGRM5
SCHEMBL21845054 0.78 AOC3 (0.49) AOC3ITGB3ITGA2B
SCHEMBL8544909 0.78 ITGB3 (0.54) AOC3ITGB3ITGA2BGRM5
SCHEMBL25260183 0.77 LMNA (0.64) AOC3ITGB3ITGA2BGRM5
SCHEMBL8549552 0.77 AOC3 (0.54) AOC3ITGB3ITGA2BGRM5
SCHEMBL27706520 0.77 GRM5 (0.57) AOC3ITGB3ITGA2BGRM5

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 6/4885ITGB3 1505/4885ITGA2B 2050/4885

“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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