SCHEMBL22720490

SCHEMBL22720490

CC(C)(C)OC(=O)N1CCC(N2CCC(C(=O)O)C2=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.52
TP53 P04637 1/20 0.50
GPR119 Q8TDV5 3/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
STS P08842 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSD P07339 1/20 0.41
CTSE P14091 1/20 0.41
BACE1 P56817 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL31257370 0.92 USP30 (0.47) FPR2TP53GPR119KDM4EMAPT
SCHEMBL22720310 0.89 FPR2 (0.52) FPR2TP53GPR119KDM4EMAPT
SCHEMBL24603693 0.87 FPR2 (0.53) FPR2TP53GPR119KDM4EMAPT
SCHEMBL22720447 0.84 TP53 (0.51) FPR2TP53GPR119KDM4EMAPT
SCHEMBL15044985 0.83 FPR2 (0.54) FPR2TP53GPR119KDM4EMAPT
SCHEMBL789114 0.83 FPR2 (0.54) FPR2TP53GPR119KDM4EMAPT
SCHEMBL23336156 0.83 FPR2 (0.54) FPR2TP53GPR119KDM4EMAPT
SCHEMBL15022876 0.83 FPR2 (0.54) FPR2TP53GPR119KDM4EMAPT
SCHEMBL15107831 0.82 FPR2 (0.53) FPR2TP53GPR119KDM4EMAPT
SCHEMBL789786 0.82 FPR2 (0.55) FPR2TP53GPR119KDM4EMAPT

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-118745176-A Nitrogen-containing heterocyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-10-08 CN disclosed
CN-118745177-A Nitrogen-containing heterocyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-10-08 CN disclosed
CN-113423703-B Nitrogen-containing heterocyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-02 CN disclosed
US-20220213100-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2022-07-07 US disclosed
CN-113423703-A Nitrogen-containing heterocyclic derivative regulator, and preparation method and application thereof 上海翰森生物医药科技有限公司 2021-09-21 CN disclosed
WO-2020239077-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2020-12-03 WO disclosed
WO-2020239077-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2020-12-03 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-20220213100-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF KRAS, NRAS, GNAQ FPR2 3201/4885TP53 14/4885GPR119 901/4885

“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.