SCHEMBL21780130

SCHEMBL21780130

CC(C)(C)OC(=O)NC/C(=C/F)COc1ccc(C(=O)N2CCc3ccccc3C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.45
NAMPT P43490 2/20 0.44
DRD2 P14416 1/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
PRMT5 O14744 2/20 0.43
WDR77 Q9BQA1 2/20 0.43
FFAR1 O14842 1/20 0.43

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
SCHEMBL21780085 0.88 CA1 (0.40) L3MBTL1LMNANAMPTPRMT5WDR77
SCHEMBL21780097 0.87 NPC1 (0.45) KMT2ATDP1HPGDLMNAALDH1A1
SCHEMBL21780127 0.83 CA12 (0.45) DRD2CYP2D6
SCHEMBL21780142 0.82 AOC2 (0.56) KMT2AMAPTL3MBTL1GAATDP1
SCHEMBL21780132 0.82 AOC2 (0.56) KMT2AMAPTL3MBTL1GAATDP1
Trifluoroacetic Acid SCHEMBL21768159 0.79 AOC3 (0.52) MAPTL3MBTL1GAATDP1TAAR1
Trifluoroacetic Acid SCHEMBL21768084 0.79 AOC3 (0.52) MAPTL3MBTL1GAATDP1TAAR1
Trifluoroacetic Acid SCHEMBL30089516 0.79 AOC3 (0.52) MAPTL3MBTL1GAATDP1TAAR1
SCHEMBL23718599 0.78 AOC3 (0.50) MAPT
SCHEMBL21768043 0.78 AOC3 (0.50) MAPT

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 KMT2A 4233/4885MAPT 2155/4885L3MBTL1 2682/4885

“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.