SCHEMBL13908097

SCHEMBL13908097

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.55
CTSD P07339 1/20 0.55
CTSE P14091 1/20 0.55
ALDH1A1 P00352 1/20 0.54
STS P08842 2/20 0.49
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.48
GPR119 Q8TDV5 1/20 0.48
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.46
MMP1 P03956 5/20 0.44
MMP9 P14780 5/20 0.44
MMP13 P45452 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
KDM1A O60341 1/20 0.44
TET3 O43151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL23381770 0.86 BACE1 (0.52) BACE1CTSDCTSEALDH1A1STS
SCHEMBL4630326 0.85 MEN1 (0.55) STSSMN1; SMN2HTTTSHRKDM1A
SCHEMBL4630446 0.85 RORC (0.50) BACE1CTSDCTSEGPR119SMN1; SMN2
SCHEMBL6802425 0.85 ALDH1A1 (0.55) BACE1CTSDCTSEALDH1A1STS
SCHEMBL29087373 0.85 RORC (0.50) TSHRKMT2A
SCHEMBL23647556 0.85 ALDH1A1 (0.49) BACE1CTSDCTSEALDH1A1STS
SCHEMBL31158369 0.85 ALDH1A1 (0.49) BACE1CTSDCTSEALDH1A1STS
SCHEMBL10324681 0.85 TSHR (0.56) KDM4EGPR119TSHR
SCHEMBL23660780 0.85 BACE1 (0.53) BACE1CTSDCTSEALDH1A1STS
SCHEMBL26372776 0.84 GPR119 (0.54) BACE1CTSDCTSEALDH1A1MAPT

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
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
WO-2009038974-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-03-26 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.