SCHEMBL21768069

SCHEMBL21768069

CC(C)(C)OC(=O)NCC(=CF)COc1ccc2c(c1)C(=O)CC2

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
AOC3 Q16853 14/20 0.41
GPR119 Q8TDV5 1/20 0.40
MAOB P27338 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
PDK2 Q15119 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL21768066 1.00 BRD4 (0.45) BRD4AOC3GPR119MAOBHRH3
SCHEMBL21845215 0.90 BRD4 (0.41) BRD4AOC3GPR119MAOBHRH3
SCHEMBL29798436 0.87 AOC3 (0.39) AOC3PDK2HDAC8
SCHEMBL22725982 0.87 AOC3 (0.39) AOC3PDK2HDAC8
SCHEMBL22725848 0.87 AOC3 (0.39) AOC3PDK2HDAC8
SCHEMBL22725854 0.83 AOC3 (0.64) AOC3MAOB
SCHEMBL29798550 0.83 AOC3 (0.64) AOC3MAOB
SCHEMBL22713730 0.83 AOC3 (0.64) AOC3MAOB
SCHEMBL22713740 0.83 AOC3 (0.54) AOC3
SCHEMBL21040323 0.81 AOC3 (0.44) AOC3MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110352188-B Fluoroallylamine derivatives and use thereof 四川科伦博泰生物医药股份有限公司 2022-11-29 CN disclosed
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 BRD4 2958/4885AOC3 6/4885GPR119 1311/4885

“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.