SCHEMBL21452422

SCHEMBL21452422

CC(C)(C)OC(=O)N[C@@]1(c2ccc(C(F)(F)F)cc2)CCCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 10/20 0.42
RORC P51449 1/20 0.40
FAAH O00519 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
MAPT P10636 1/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
THRB P10828 1/20 0.36
SLC6A2 P23975 1/20 0.35
P2RY14 Q15391 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
SCHEMBL21452549 1.00 PDE2A (0.42) PDE2ARORCFAAHTRPV1MAPT
SCHEMBL21452178 1.00 PDE2A (0.42) PDE2ARORCFAAHTRPV1MAPT
SCHEMBL21452392 0.88 RORC (0.43) RORCFAAHMAPTSLC6A4
SCHEMBL21452427 0.86 SLC6A4 (0.42) FAAHTRPV1MAPTSLC6A4SLC6A3
SCHEMBL26451008 0.85 SLC6A4 (0.40) SLC6A4
SCHEMBL21452447 0.83 PDE2A (0.43) PDE2ARORC
SCHEMBL23001555 0.83 PDE2A (0.39) PDE2ARORCMAPT
SCHEMBL21452417 0.83 PDE2A (0.39) PDE2ARORCMAPT
SCHEMBL21452021 0.82 EGLN2 (0.35)
SCHEMBL25380609 0.82 PDE2A (0.46) PDE2AFAAHTRPV1SLC6A4SLC6A3

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
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
CN-116730853-A Novel aminoketone compound and preparation method and application thereof 上海致根医药科技有限公司 2023-09-12 CN 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 PDE2A 3513/4885RORC 1989/4885FAAH 605/4885
US-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP4F11, PAH, COMT PDE2A 4338/4885RORC 165/4885FAAH 741/4885

“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.