SCHEMBL31708856

SCHEMBL31708856

COc1ccccc1CN1CCN(C(=O)[C@@H](N)C2CCN(CCc3ccccc3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
ALOX15 P16050 1/20 0.56
KCNH2 Q12809 1/20 0.54
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
SIGMAR1 Q99720 3/20 0.52
CHRM3 P20309 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CXCR4 P61073 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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 1.00 KDM4E (0.56) KDM4EALOX15KCNH2POLBGAA
SCHEMBL27154412 1.00 KDM4E (0.56) KDM4EALOX15KCNH2POLBGAA
SCHEMBL31708882 0.93 SIGMAR1 (0.57) KDM4EALOX15KCNH2SIGMAR1CHRM3
SCHEMBL31709210 0.92 MAPT (0.52) KDM4EALOX15POLBGAACHRM3
SCHEMBL31708852 0.90 KDM4E (0.48) KDM4EALOX15KCNH2POLBGAA
SCHEMBL31708704 0.90 ALDH1A1 (0.52) KDM4EALOX15KCNH2SIGMAR1CHRM3
SCHEMBL31709168 0.89 KDM4E (0.46) KDM4EALOX15KCNH2POLBGAA
SCHEMBL31709154 0.89 SIGMAR1 (0.50) KDM4EALOX15KCNH2POLBSIGMAR1
SCHEMBL31708992 0.89 SIGMAR1 (0.50) KDM4EALOX15KCNH2SIGMAR1CHRM3
Hydrochloric Acid SCHEMBL27148010 0.89 ALDH1A1 (0.51) KDM4EALOX15KCNH2SIGMAR1CHRM3

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 1853/4885KCNH2 484/4885

“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.