SCHEMBL23660780

SCHEMBL23660780

COc1ccc(C2(C(N)=O)CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.53
CTSD P07339 1/20 0.53
CTSE P14091 1/20 0.53
ALDH1A1 P00352 1/20 0.52
TET3 O43151 1/20 0.50
KMT2A Q03164 1/20 0.50
FBXL19 Q6PCT2 1/20 0.50
CXXC5 Q7LFL8 1/20 0.50
TET1 Q8NFU7 1/20 0.50
KDM2B Q8NHM5 1/20 0.50
CXXC4 Q9H2H0 1/20 0.50
KDM2A Q9Y2K7 1/20 0.50
TSHR P16473 3/20 0.48
ALOX15 P16050 1/20 0.48
ATM Q13315 1/20 0.48
STS P08842 2/20 0.47
GPR119 Q8TDV5 1/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 2/20 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
SCHEMBL28953849 0.89 TET3 (0.64) BACE1CTSDCTSEALDH1A1TET3
SCHEMBL654889 0.86 KMT2A (0.53) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL4629887 0.86 TSHR (0.49) BACE1CTSDCTSETSHRALOX15
SCHEMBL23647692 0.86 TSHR (0.47) BACE1CTSDCTSEALDH1A1KMT2A
SCHEMBL31158350 0.86 TSHR (0.47) BACE1CTSDCTSEALDH1A1KMT2A
SCHEMBL6543780 0.86 TSHR (0.63) TET3KMT2AFBXL19CXXC5TET1
SCHEMBL26372781 0.85 GPR119 (0.52) BACE1CTSDCTSEALDH1A1KMT2A
SCHEMBL13908097 0.85 BACE1 (0.55) BACE1CTSDCTSEALDH1A1TET3
SCHEMBL8353458 0.84 TSHR (0.49) TSHRALOX15ATMGPR119
SCHEMBL6802425 0.83 ALDH1A1 (0.55) BACE1CTSDCTSEALDH1A1KMT2A

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
CN-114867720-B Heteroaryl derivatives, preparation method and application thereof 浙江海正药业股份有限公司 2024-10-22 CN disclosed
US-20230348467-A1 Heteroaryl Derivative, Preparation Method Therefor, And Use Thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-02 US disclosed
US-20230348467-A1 Heteroaryl Derivative, Preparation Method Therefor, And Use Thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-02 US disclosed
US-20230348467-A1 Heteroaryl Derivative, Preparation Method Therefor, And Use Thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-02 US disclosed
EP-4092019-A1 HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) 2022-11-23 EP disclosed
CN-114867720-A Heteroaryl derivative and preparation method and application thereof 浙江海正药业股份有限公司 2022-08-05 CN disclosed
WO-2021143680-A1 HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2021-07-22 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-20230348467-A1 Heteroaryl Derivative, Preparation Method Therefor, And Use Thereof PTPN11, PTPN1, PTPN7 BACE1 2512/4885CTSD 4418/4885CTSE 4286/4885

“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.