SCHEMBL31709354

SCHEMBL31709354

COc1ccccc1CN1CCN(C(=O)CN2CCC(C#Cc3ccccc3)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 4/20 0.58
ALOX15 P16050 1/20 0.58
CHRM2 P08172 1/20 0.54
CHRM4 P08173 1/20 0.54
CHRM5 P08912 1/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
HTT P42858 2/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2D6 P10635 1/20 0.48
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL27142753 0.82 KDM4E (0.63) ALDH1A1KDM4EALOX15CHRM2CHRM4
Hydrochloric Acid SCHEMBL27140915 0.81 KDM4E (0.61) ALDH1A1KDM4EALOX15CHRM2CHRM4
SCHEMBL31709067 0.79 KDM4E (0.65) ALDH1A1KDM4EALOX15CHRM2CHRM4
SCHEMBL27148597 0.78 KDM4E (0.58) ALDH1A1KDM4EALOX15CHRM2CHRM4
SCHEMBL31709323 0.78 KDM4E (0.58) ALDH1A1KDM4EALOX15CHRM2CHRM4
SCHEMBL31709213 0.78 KDM4E (0.58) ALDH1A1KDM4EALOX15CHRM2CHRM4
SCHEMBL31464148 0.78 MEN1 (0.67) ALDH1A1KDM4EALOX15CHRM2CHRM4
SCHEMBL27148599 0.78 KDM4E (0.58) ALDH1A1KDM4EALOX15CHRM2CHRM4
SCHEMBL31708880 0.78 KDM4E (0.58) ALDH1A1KDM4EALOX15CHRM2CHRM4
SCHEMBL31708675 0.78 SIGMAR1 (0.74) ALDH1A1KDM4EALOX15CHRM2CHRM4

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

“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.