SCHEMBL10162013

SCHEMBL10162013

CC(=O)Nc1cc(CC(C)C)ccn1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 10/20 0.54
AAK1 Q2M2I8 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ABL1 P00519 1/20 0.46
CYP3A4 P08684 5/20 0.46
PIK3C3 Q8NEB9 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44

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
SCHEMBL501285 0.82 L3MBTL1 (0.52) NR3C2L3MBTL1PIK3C3JAK2JAK1
SCHEMBL29507273 0.82 L3MBTL1 (0.52) NR3C2L3MBTL1PIK3C3JAK2JAK1
SCHEMBL91333 0.82 RIOK2 (0.57) NR3C2L3MBTL1PIK3C3JAK2JAK1
SCHEMBL7671508 0.82 L3MBTL1 (0.52) NR3C2L3MBTL1PIK3C3JAK2JAK1
SCHEMBL23015674 0.81 NR3C2 (0.55) NR3C2L3MBTL1PIK3C3
SCHEMBL30893838 0.81 L3MBTL1 (0.50) NR3C2L3MBTL1PIK3C3JAK2JAK1
SCHEMBL21847287 0.81 L3MBTL1 (0.50) NR3C2L3MBTL1PIK3C3JAK2JAK1
SCHEMBL2642713 0.81 L3MBTL1 (0.50) NR3C2L3MBTL1PIK3C3JAK2JAK1
SCHEMBL4309482 0.81 L3MBTL1 (0.50) NR3C2AAK1L3MBTL1PIK3C3JAK2
SCHEMBL2642714 0.81 LOXL2 (0.58) NR3C2L3MBTL1PIK3C3JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4198017-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Academy of Military Medical Sciences (CN) 2023-06-21 EP disclosed
WO-2022033303-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 中国人民解放军军事科学院军事医学研究院 2022-02-17 WO disclosed
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US 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 (4 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 NR3C2 1434/4885AAK1 3107/4885L3MBTL1 2800/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 NR3C2 1434/4885AAK1 3107/4885L3MBTL1 2800/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 NR3C2 1434/4885AAK1 3107/4885L3MBTL1 2800/4885
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 NR3C2 2617/4885AAK1 4497/4885L3MBTL1 2317/4885

“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.