SCHEMBL22770482

SCHEMBL22770482

CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccc(N)cc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.53
USP30 Q70CQ3 1/20 0.44
GPR119 Q8TDV5 5/20 0.41
ESR2 Q92731 1/20 0.40
HRH3 Q9Y5N1 3/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 1/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM1A O60341 1/20 0.38
CRBN Q96SW2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PDK2 Q15119 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL29993019 1.00 NR1H2 (0.53) NR1H2USP30GPR119ESR2HRH3
SCHEMBL22792848 0.87 GPR119 (0.43) NR1H2USP30GPR119ESR2HRH3
SCHEMBL30111061 0.87 ESR2 (0.52) NR1H2USP30GPR119ESR2HRH3
SCHEMBL22792391 0.87 ESR2 (0.52) NR1H2USP30GPR119ESR2HRH3
SCHEMBL22770435 0.87 GPR119 (0.46) NR1H2USP30GPR119ESR2HDAC1
SCHEMBL21856129 0.86 MEN1 (0.46) NR1H2USP30GPR119ESR2HDAC1
SCHEMBL21397628 0.86 ESR2 (0.43) NR1H2USP30GPR119ESR2HDAC1
SCHEMBL22440522 0.86 GPR119 (0.43) NR1H2USP30GPR119ESR2HRH3
SCHEMBL22493761 0.86 ALDH1A1 (0.48) NR1H2USP30GPR119ESR2ALDH1A1
SCHEMBL29993517 0.86 ALDH1A1 (0.48) NR1H2USP30GPR119ESR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601239-B1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO LTD (CN) 2024-07-31 EP disclosed
CN-115969853-A Novel heterocyclic derivatives useful as SHP2 inhibitors 北京加科思新药研发有限公司 2023-04-18 CN disclosed
CN-115721648-A Novel heterocyclic derivatives useful as SHP2 inhibitors 北京加科思新药研发有限公司 2023-03-03 CN disclosed
CN-112174935-B Heterocyclic derivatives useful as SHP2 inhibitors 北京加科思新药研发有限公司 2022-12-06 CN disclosed
CN-112409334-B Heterocyclic derivatives useful as SHP2 inhibitors 北京加科思新药研发有限公司 2022-12-02 CN disclosed
US-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-04-27 US disclosed
US-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-04-27 US disclosed
CN-112409334-A Novel heterocyclic derivatives useful as SHP2 inhibitors 北京加科思新药研发有限公司 2021-02-26 CN disclosed
CN-112174935-A Novel heterocyclic derivatives useful as SHP2 inhibitors 北京加科思新药研发有限公司 2021-01-05 CN disclosed
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2020-12-17 US disclosed
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2020-12-17 US 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-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors PTPRJ, PTPN5, PTPN1 NR1H2 1607/4885USP30 1139/4885GPR119 1856/4885
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ NR1H2 1848/4885USP30 1145/4885GPR119 1764/4885

“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.