SCHEMBL31709154

SCHEMBL31709154

COc1ccccc1CN1CCN(C(=O)[C@H](N)C2CCN(CCc3ccccc3F)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
KDM4E B2RXH2 4/20 0.47
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 4/20 0.47
CHRM2 P08172 2/20 0.47
CHRM4 P08173 2/20 0.47
CHRM5 P08912 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
POLB P06746 1/20 0.47
CACNA1G O43497 3/20 0.47
HTT P42858 1/20 0.46
MTNR1B P49286 1/20 0.46
KCNH2 Q12809 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 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
SCHEMBL31708882 0.93 SIGMAR1 (0.57) SIGMAR1KDM4EALOX15ALDH1A1CHRM2
SCHEMBL31708704 0.90 ALDH1A1 (0.52) SIGMAR1KDM4EALOX15ALDH1A1CHRM2
Hydrochloric Acid SCHEMBL27148010 0.89 ALDH1A1 (0.51) SIGMAR1KDM4EALOX15ALDH1A1CHRM2
SCHEMBL31708992 0.89 SIGMAR1 (0.50) SIGMAR1KDM4EALOX15ALDH1A1CHRM2
Hydrochloric Acid SCHEMBL27148014 0.89 ALDH1A1 (0.51) SIGMAR1KDM4EALOX15ALDH1A1CHRM2
SCHEMBL27154412 0.89 KDM4E (0.56) SIGMAR1KDM4EALOX15ALDH1A1CHRM3
SCHEMBL27154411 0.89 KDM4E (0.56) SIGMAR1KDM4EALOX15ALDH1A1CHRM3
SCHEMBL31708856 0.89 KDM4E (0.56) SIGMAR1KDM4EALOX15ALDH1A1CHRM3
SCHEMBL31709169 0.88 SIGMAR1 (0.48) SIGMAR1KDM4EALOX15ALDH1A1POLB
SCHEMBL31708922 0.87 KDM4E (0.45) SIGMAR1KDM4EALOX15ALDH1A1POLB

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 SIGMAR1 197/4885KDM4E 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.