SCHEMBL21452492

SCHEMBL21452492

CC(C)(C)OC(=O)NC1(c2cccc(C#N)c2)CCCCC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
PPIA P62937 2/20 0.36
BACE1 P56817 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
RORC P51449 3/20 0.35
HSD11B1 P28845 1/20 0.34
VNN1 O95497 2/20 0.34
CXCR5 P32302 1/20 0.34
DRD2 P14416 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
CYP2D6 P10635 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL31426669 1.00 SIRT2 (0.38) SIRT2SIRT1PPIABACE1DDB1
SCHEMBL25381871 1.00 SIRT2 (0.38) SIRT2SIRT1PPIABACE1DDB1
SCHEMBL21452021 0.87 EGLN2 (0.35) PPIADRD2CYP2D6HSD17B10NLRP3
SCHEMBL21452370 0.84 HDAC4 (0.47) PPIASLC6A4CYP2D6
SCHEMBL21452472 0.84 SIRT2 (0.39) SIRT2SIRT1DDB1CRBNSLC6A2
SCHEMBL21452112 0.84 CYP2C19 (0.41) PPIASLC6A2SLC6A4RORCCYP2D6
SCHEMBL26451008 0.83 SLC6A4 (0.40) PPIASLC6A4
SCHEMBL21452401 0.83 GRIN1 (0.43) PPIASLC6A2SLC6A4TP53
SCHEMBL21452427 0.82 SLC6A4 (0.42) SLC6A2SLC6A4TP53
SCHEMBL21452015 0.81 CYP11B2 (0.41) DRD2KDM4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250177324-A1 AMINOKETONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI ZHIGEN PHARMACEUTICAL & TECHNOLOGY CO. LTD. (CN) 2025-06-05 US disclosed
EP-4488260-A1 NEW AMINOKETONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Zhigen Pharmaceutical & Technology Co. Ltd. (CN) 2025-01-08 EP disclosed
WO-2023165575-A1 NEW AMINOKETONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海致根医药科技有限公司 2023-09-07 WO disclosed
US-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JIANHE PHARMACEUTICAL & TECHNOLOGY CO. LTD. (CN) 2021-06-10 US disclosed
EP-3778579-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jianhe Pharmaceutical & Technology Co. Ltd. (CN) 2021-02-17 EP disclosed
WO-2019192602-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海键合医药科技有限公司 2019-10-10 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 (2 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-20250177324-A1 AMINOKETONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF AADAT, ALDH7A1, AASDHPPT SIRT2 1875/4885SIRT1 1328/4885PPIA 1512/4885
US-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP4F11, PAH, COMT SIRT2 4229/4885SIRT1 3033/4885PPIA 2275/4885

“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.