SCHEMBL31709320

SCHEMBL31709320

COc1ccccc1CN1CCN(C(=O)[C@H](NC(=O)OCc2ccccc2)C2CCN(CCc3ccccc3Cl)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 2/20 0.44
SIGMAR1 Q99720 3/20 0.44
CXCR4 P61073 1/20 0.43
CACNA1G O43497 2/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL31708692 0.94 KDM4E (0.50) KDM4EALOX15ALDH1A1SIGMAR1CXCR4
SCHEMBL31709059 0.93 KDM4E (0.50) KDM4EALOX15ALDH1A1SIGMAR1CXCR4
SCHEMBL31708894 0.93 KDM4E (0.50) KDM4EALOX15ALDH1A1SIGMAR1CXCR4
SCHEMBL31708884 0.91 KDM4E (0.47) KDM4EALOX15ALDH1A1SIGMAR1CXCR4
SCHEMBL31709344 0.90 MAPK1 (0.46) KDM4EALOX15ALDH1A1SIGMAR1CXCR4
SCHEMBL27142589 0.90 SIGMAR1 (0.48) KDM4EALOX15ALDH1A1SIGMAR1CACNA1G
SCHEMBL31709370 0.89 KDM4E (0.43) KDM4EALOX15ALDH1A1SIGMAR1CXCR4
SCHEMBL31709096 0.87 KDM4E (0.45) KDM4EALOX15ALDH1A1SIGMAR1CXCR4
SCHEMBL31708623 0.86 ALPL (0.47) KDM4EALOX15
SCHEMBL31708866 0.85 KDM4E (0.54) KDM4EALOX15ALDH1A1SIGMAR1CXCR4

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 KDM4E 2774/4885ALOX15 1853/4885ALDH1A1 774/4885

“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.