SCHEMBL31709217

SCHEMBL31709217

CCOc1cccc(F)c1CN1CCN(C(=O)[C@H](NC(=O)OCc2ccccc2)C2CCN(CCc3ccccc3Br)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
OPRM1 P35372 1/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALOX15 P16050 1/20 0.37
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR2A P28223 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CCR1 P32246 1/20 0.35

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
SCHEMBL31709208 0.92 SIGMAR1 (0.42) KDM4EALDH1A1POLBALOX15SIGMAR1
SCHEMBL31709092 0.92 ALDH1A1 (0.43) KDM4EALDH1A1OPRM1TDP1ALOX15
SCHEMBL31708738 0.92 CCR1 (0.39) KDM4EALDH1A1OPRM1POLBTDP1
SCHEMBL31708941 0.91 ALDH1A1 (0.39) KDM4EALDH1A1OPRM1POLBTDP1
SCHEMBL27146312 0.91 KDM4E (0.43) KDM4EALDH1A1OPRM1POLBTDP1
SCHEMBL27146308 0.91 KDM4E (0.43) KDM4EALDH1A1OPRM1POLBTDP1
SCHEMBL31708760 0.90 KDM4E (0.38) KDM4EALDH1A1OPRM1POLBTDP1
SCHEMBL31709228 0.89 SSTR5 (0.37) KDM4EALDH1A1OPRM1POLBTDP1
SCHEMBL31709053 0.88 ALDH1A1 (0.40) KDM4EALDH1A1POLBTDP1ALOX15
SCHEMBL31709165 0.88 DRD2 (0.39) KDM4EALDH1A1POLBALOX15BCHE

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 2774/4885ALDH1A1 774/4885OPRM1 1499/4885

“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.