SCHEMBL31709210

SCHEMBL31709210

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
ALPL P05186 1/20 0.50
ALPI P09923 1/20 0.50
ALPG P10696 1/20 0.50
KDM4E B2RXH2 5/20 0.49
CHRM3 P20309 1/20 0.49
ALOX15 P16050 2/20 0.48
HTT P42858 1/20 0.48
GAA P10253 2/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL27154411 0.92 KDM4E (0.56) KDM4ECHRM3ALOX15GAAPOLB
SCHEMBL31708856 0.92 KDM4E (0.56) KDM4ECHRM3ALOX15GAAPOLB
SCHEMBL27154412 0.92 KDM4E (0.56) KDM4ECHRM3ALOX15GAAPOLB
SCHEMBL31709174 0.88 CHRM3 (0.46) KDM4ECHRM3ALOX15GAAPOLB
SCHEMBL31708882 0.85 SIGMAR1 (0.57) KDM4ECHRM3ALOX15HTTALDH1A1
SCHEMBL31708621 0.84 MAPT (0.43) MAPTALPLALPIALPGKDM4E
SCHEMBL31708623 0.84 ALPL (0.47) MAPTALPLALPIALPGKDM4E
SCHEMBL31709126 0.84 CHRM3 (0.44) CHRM3
SCHEMBL31708852 0.83 KDM4E (0.48) KDM4ECHRM3ALOX15GAAPOLB
SCHEMBL31708922 0.82 KDM4E (0.45) MAPTKDM4EALOX15POLBALDH1A1

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 MAPT 2498/4885ALPL 1281/4885ALPI 1000/4885

“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.