SCHEMBL21452415

SCHEMBL21452415

CC(C)(C)OC(=O)NC1(c2cccc(F)c2F)CCCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 6/20 0.47
SLC6A4 P31645 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
OPRK1 P41145 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
LMNA P02545 1/20 0.38
OPRM1 P35372 1/20 0.38
GRIN2B Q13224 1/20 0.38
CACNA1C Q13936 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
CYP3A4 P08684 1/20 0.37
SCN9A Q15858 1/20 0.37
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 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
SCHEMBL31426693 1.00 HDAC4 (0.47) HDAC4SLC6A4GRIN1GRIN2AOPRK1
SCHEMBL21452207 0.89 GRIN1 (0.47) HDAC4SLC6A4GRIN1GRIN2AOPRK1
SCHEMBL21451902 0.88 HDAC4 (0.40) HDAC4SLC6A4GRIN1GRIN2AOPRK1
SCHEMBL21451934 0.88 SCN9A (0.41) HDAC4SLC6A4GRIN1GRIN2AOPRK1
SCHEMBL21452201 0.88 HDAC4 (0.41) HDAC4SLC6A4GRIN1GRIN2AOPRK1
SCHEMBL21451924 0.86 SCN9A (0.35) HDAC4SLC6A4GRIN1GRIN2AOPRK1
SCHEMBL21451927 0.86 SCN9A (0.35) HDAC4SLC6A4GRIN1GRIN2AOPRK1
SCHEMBL21452469 0.86 SCN9A (0.35) HDAC4SLC6A4GRIN1GRIN2AOPRK1
SCHEMBL21451939 0.86 HDAC4 (0.36) HDAC4SLC6A4GRIN1GRIN2AOPRK1
SCHEMBL21451950 0.84 HDAC4 (0.39) HDAC4SLC6A4GRIN1GRIN2AOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP4F11, PAH, COMT HDAC4 2874/4885SLC6A4 64/4885GRIN1 1281/4885

“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.