SCHEMBL25317043

SCHEMBL25317043

COC(=O)C1=C(c2ccc(C(=O)OC)c(C)c2[N+](=O)[O-])CCC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 15/20 0.55
SLC6A4 P31645 2/20 0.48
SLC6A2 P23975 10/20 0.41
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL25314349 0.81 SLC6A3 (0.38) SLC6A3SLC6A4CYP1A2CYP3A4MAPT
SCHEMBL27797779 0.77 SMN1; SMN2 (0.46) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL15876217 0.74 SLC6A3 (0.60) SLC6A3SLC6A4SLC6A2CYP1A2CYP3A4
SCHEMBL27862571 0.74 TSHR (0.50) CYP3A4MAPTMEN1ALDH1A1KMT2A
SCHEMBL15398667 0.74 SMN1; SMN2 (0.50) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL25238621 0.74 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2MEN1ALDH1A1
SCHEMBL28404963 0.73 GAA (0.46) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL18737796 0.72 SMN1; SMN2 (0.42) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL308150 0.72 MEN1 (0.42) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL543239 0.72 SMN1; SMN2 (0.42) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2

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 5 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
WO-2025011494-A1 CRYSTAL FORM OF PIPERAZINO RING-CONTAINING DERIVATIVE, SALT FORM, PREPARATION METHOD, AND USE 优领医药科技(香港)有限公司 2025-01-16 WO 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
CN-116425744-A Piperazine-containing ring derivative, pharmaceutically acceptable salt thereof, and preparation method and application thereof 优领医药科技(香港)有限公司 2023-07-14 CN 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 SLC6A3 2990/4885SLC6A4 1673/4885SLC6A2 2863/4885

“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.