SCHEMBL16447335

SCHEMBL16447335

O=C(NCCBr)OCCCl

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.44
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA4 P43681 2/20 0.35

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
SCHEMBL11741059 0.87 ACHE (0.50) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5747611 0.85 ACHE (0.48) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11735248 0.83 ACHE (0.57) ACHE
SCHEMBL10839834 0.81 CHRNB2 (0.51) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11736597 0.81 ACHE (0.57) ACHE
SCHEMBL10021633 0.79 ACHE (0.44) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20328706 0.79 ACHE (0.59) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9313040 0.78 ACHE (0.42) ACHE
SCHEMBL2592697 0.76 ACHE (0.67) ACHE
SCHEMBL10827960 0.76 ACHE (0.78) ACHE

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 7 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
CN-105980350-B Amino acid derivativges 米迪缪尼有限公司 2018-11-27 CN disclosed
US-9981908-B2 Amino acid derivatives MEDIMMUNE LIMITED (GB) 2018-05-29 US disclosed
CN-105980350-A Amino acid derivatives 米迪缪尼有限公司 2016-09-28 CN 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 ACHE 4790/4885CHRNB2 4719/4885CHRNB4 4657/4885

“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.