SCHEMBL31708623

SCHEMBL31708623

CCOc1ccccc1CN1CCN(C(=O)[C@H](NC(=O)OCc2ccccc2)C2CCN(CCc3ccccc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.47
ALPI P09923 1/20 0.47
ALPG P10696 1/20 0.47
MAPT P10636 1/20 0.46
KDM4E B2RXH2 3/20 0.44
CHRM3 P20309 1/20 0.44
ALOX15 P16050 2/20 0.44
HTT P42858 1/20 0.44
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
TP53 P04637 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
SCHEMBL31709059 0.93 KDM4E (0.50) KDM4ECHRM3ALOX15
SCHEMBL31708894 0.93 KDM4E (0.50) KDM4ECHRM3ALOX15
SCHEMBL31708692 0.89 KDM4E (0.50) KDM4EALOX15
SCHEMBL31709092 0.89 ALDH1A1 (0.43) KDM4ECHRM3ALOX15BCHEACHE
SCHEMBL31709039 0.87 CHRM3 (0.41) CHRM3BCHEACHECACNA1FCACNA1D
SCHEMBL31709320 0.86 KDM4E (0.47) KDM4EALOX15
SCHEMBL31708884 0.86 KDM4E (0.47) KDM4EALOX15
SCHEMBL31709344 0.85 MAPK1 (0.46) KDM4EALOX15
SCHEMBL31709096 0.85 KDM4E (0.45) KDM4EALOX15
SCHEMBL31709210 0.84 MAPT (0.52) ALPLALPIALPGMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250326744-A1 PIPERAZINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FUJIFILM CORPORATION (JP) 2025-10-23 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 (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-20250326744-A1 PIPERAZINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION ABCB11, ABCC1, SLC11A2 ALPL 1281/4885ALPI 1000/4885ALPG 3143/4885

“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.