SCHEMBL31709323

SCHEMBL31709323

COc1ccccc1CN1CCN(C(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALOX15 P16050 1/20 0.58
CHRM2 P08172 1/20 0.57
CHRM4 P08173 1/20 0.57
CHRM5 P08912 1/20 0.57
CHRM1 P11229 1/20 0.57
CHRM3 P20309 1/20 0.57
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 2/20 0.54
LMNA P02545 3/20 0.53
CACNA1G O43497 1/20 0.53
YAP1 P46937 1/20 0.51
TEAD4 Q15561 1/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
HTT P42858 2/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
USP2 O75604 1/20 0.50
ACKR3 P25106 1/20 0.49

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
SCHEMBL31709213 0.82 KDM4E (0.58) KDM4EALOX15CHRM2CHRM4CHRM5
SCHEMBL27142753 0.82 KDM4E (0.63) KDM4EALOX15CHRM2CHRM4CHRM5
SCHEMBL31709200 0.82 ATAD2 (0.48) KDM4EALOX15CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL27140915 0.81 KDM4E (0.61) KDM4EALOX15CHRM2CHRM4CHRM5
SCHEMBL31464148 0.80 MEN1 (0.67) KDM4EALOX15CHRM2CHRM4CHRM5
SCHEMBL3602510 0.80 FAAH (0.69) KDM4EALOX15ALDH1A1KMT2ALMNA
Hydrochloric Acid SCHEMBL27137135 0.80 MEN1 (0.66) KDM4EALOX15CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL27149658 0.80 SSTR5 (0.60) KDM4EALOX15CHRM2CHRM4CHRM5
SCHEMBL31709067 0.79 KDM4E (0.65) KDM4EALOX15CHRM2CHRM4CHRM5
SCHEMBL31709354 0.78 ALDH1A1 (0.59) KDM4EALOX15CHRM2CHRM4CHRM5

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 1853/4885CHRM2 4766/4885

“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.