Sugi Predict

Sugi Predict / Compounds / SCHEMBL25524772

SCHEMBL25524772

SCHEMBL25524772

C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1c1ccc([N+](=O)[O-])nc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.49
▸ RAB9A P51151 1/20 0.48
▸ GPR119 Q8TDV5 6/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CHRNB2 P17787 3/20 0.40
▸ CHRNA4 P43681 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ CHRNB4 P30926 2/20 0.39
▸ CHRNA3 P32297 2/20 0.39
▸ MET P08581 1/20 0.39

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
SCHEMBL611748 0.88 GPR119 (0.48) MAPTRAB9AGPR119ALDH1A1LMNA
SCHEMBL30512249 0.88 GPR119 (0.48) MAPTRAB9AGPR119ALDH1A1LMNA
SCHEMBL14925849 0.86 GPR119 (0.50) MAPTRAB9AGPR119ALDH1A1LMNA
SCHEMBL14924375 0.86 GPR119 (0.50) MAPTRAB9AGPR119ALDH1A1LMNA
SCHEMBL22802474 0.86 GPR119 (0.50) MAPTRAB9AGPR119ALDH1A1LMNA
SCHEMBL30512281 0.86 GPR119 (0.50) MAPTRAB9AGPR119ALDH1A1LMNA
SCHEMBL29741983 0.86 GPR119 (0.50) MAPTRAB9AGPR119ALDH1A1LMNA
SCHEMBL29731850 0.86 GPR119 (0.50) MAPTRAB9AGPR119ALDH1A1LMNA
SCHEMBL31173926 0.84 MAPT (0.55) MAPTRAB9AGPR119ALDH1A1LMNA
SCHEMBL10256538 0.84 MAPT (0.55) MAPTRAB9AGPR119ALDH1A1LMNA

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-12173008-B2 Substituted piperazines as BTK inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2024-12-24 — — US disclosed
US-20230382916-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2023-11-30 — — US disclosed
US-20230382916-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2023-11-30 — — US disclosed
CN-116568687-A Heteroaryl heterocycles and uses thereof 和记黄埔医药（上海）有限公司 2023-08-08 — — CN disclosed
US-11655254-B2 Substituted piperazines as BTK inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2023-05-23 — — US disclosed
US-11655254-B2 Substituted piperazines as BTK inhibitors HUTCHISON MEDIPHARMA LIMITED (CN) 2023-05-23 — — US disclosed
US-20220332719-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2022-10-20 — — 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 (4 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-20230382916-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP3A43, CYP3A5, CYP3A7 MAPT 3246/4885RAB9A 1131/4885GPR119 2684/4885
US-12173008-B2 Substituted piperazines as BTK inhibitors BTK, SYK, ABL1 MAPT 4416/4885RAB9A 2813/4885GPR119 2806/4885
US-11655254-B2 Substituted piperazines as BTK inhibitors BTK, SYK, LYN MAPT 4409/4885RAB9A 2733/4885GPR119 3028/4885
US-20220332719-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF BTK, SYK, LYN MAPT 4556/4885RAB9A 1891/4885GPR119 3107/4885

“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.