SCHEMBL16447140

SCHEMBL16447140

C#CCOC(=O)NCCBr

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ACHE P22303 8/20 0.34
EPHX2 P34913 1/20 0.32
FAAH O00519 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL15806526 0.82 L3MBTL1 (0.51) L3MBTL1ZDHHC20ACHEEPHX2
SCHEMBL16106831 0.78 TSHR (0.44) L3MBTL1ZDHHC20NPC1ALDH1A1TAAR1
SCHEMBL13366719 0.77 L3MBTL1 (0.41) L3MBTL1ZDHHC20NPC1ACHEEPHX2
SCHEMBL5144907 0.77 ACHE (0.63) L3MBTL1ZDHHC20ACHE
SCHEMBL16401454 0.77 NPC1 (0.39) L3MBTL1ZDHHC20NPC1ALDH1A1TAAR1
SCHEMBL27642692 0.76 L3MBTL1 (0.43) L3MBTL1ZDHHC20NPC1ACHEEPHX2
SCHEMBL15549900 0.76 HTT (0.51) L3MBTL1ZDHHC20ALDH1A1TAAR1ACHE
SCHEMBL1264448 0.75
SCHEMBL10245233 0.75
SCHEMBL9196584 0.74 L3MBTL1 (0.64) L3MBTL1ZDHHC20ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3030545-B1 AMINO ACID DERIVATIVES MEDIMMUNE LTD (GB) 2020-10-07 EP disclosed
US-9981908-B2 Amino acid derivatives MEDIMMUNE LIMITED (GB) 2018-05-29 US disclosed
US-20160176811-A1 Amino Acid Derivatives ALLOZYNE, INC. 2016-06-23 US disclosed
EP-3030545-A2 AMINO ACID DERIVATIVES Medimmune Limited (GB) 2016-06-15 EP disclosed
WO-2015019192-A2 AMINO ACID DERIVATIVES MEDIMMUNE LIMITED (GB) 2015-02-12 WO 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-20160176811-A1 Amino Acid Derivatives BCAT2, BCAT1, DAO L3MBTL1 490/4885ZDHHC20 2732/4885NPC1 4789/4885

“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.