SCHEMBL25318682

SCHEMBL25318682

COC(=O)C1=C(B2OC(C)(C)C(C)(C)O2)CCCO1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL20745098 0.77 SLC6A3 (0.38) P2RX7
SCHEMBL25251651 0.77 SLC6A3 (0.38) P2RX7
SCHEMBL25915541 0.71 ALDH1A1 (0.38) KDM4EALDH1A1MAPK1
SCHEMBL28580343 0.71 ACHE (0.41)
SCHEMBL26596757 0.68 DGAT1 (0.33)
SCHEMBL17074435 0.65 P2RX7 (0.37) P2RX7MAPK1
SCHEMBL31386700 0.65 P2RX7 (0.37) P2RX7MAPK1
SCHEMBL28580346 0.65 SLC6A3 (0.40)
SCHEMBL25315269 0.65 KDM4E (0.41) P2RX7KDM4EALDH1A1MAPK1
SCHEMBL2483894 0.65 KDM4E (0.41) P2RX7KDM4EALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250221987-A1 PIPERAZINO RING-CONTAINING DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF ACERAND THERAPEUTICS (HONG KONG) LIMITED (CN) 2025-07-10 US disclosed
EP-4464704-A1 PIPERAZINO RING-CONTAINING DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Acerand Therapeutics (Hong Kong) Limited (HK) 2024-11-20 EP disclosed
WO-2023134647-A1 PIPERAZINO RING-CONTAINING DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 优领医药科技(香港)有限公司 2023-07-20 WO disclosed
WO-2023134647-A1 PIPERAZINO RING-CONTAINING DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 优领医药科技(香港)有限公司 2023-07-20 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-20250221987-A1 PIPERAZINO RING-CONTAINING DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF PARP1, PARP11, PARP15 P2RX7 314/4885KDM4E 1630/4885ALDH1A1 543/4885

“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.