SCHEMBL21780109

SCHEMBL21780109

C=C(CN)COc1ccc2c(c1)CN(Cc1ccc(Cl)cc1)C2=O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 4/20 0.44
▸ ITGA2B P08514 4/20 0.44
▸ MAOA P21397 4/20 0.43
▸ MAOB P27338 2/20 0.42
▸ AOC3 Q16853 11/20 0.42

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
SCHEMBL21768067 0.85 MAOA (0.63) MAOAMAOBAOC3
SCHEMBL21768073 0.85 MAOA (0.63) MAOAMAOBAOC3
SCHEMBL21768064 0.85 MAOA (0.63) MAOAMAOBAOC3
SCHEMBL30089481 0.85 MAOA (0.63) MAOAMAOBAOC3
SCHEMBL30089399 0.85 MAOA (0.63) MAOAMAOBAOC3
SCHEMBL21780091 0.81 AOC3 (0.56) ITGB3ITGA2BAOC3
SCHEMBL21768166 0.78 ADAM17 (0.48) —
SCHEMBL21768036 0.75 ERCC1 (0.47) MAOAMAOB
SCHEMBL21768177 0.75 AOC3 (0.48) MAOAAOC3
SCHEMBL21845054 0.74 AOC3 (0.49) ITGB3ITGA2BAOC3

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 ITGB3 1505/4885ITGA2B 2050/4885MAOA 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.

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