SCHEMBL31709007

SCHEMBL31709007

COCCOc1cccc(F)c1CN1CCN(C(=O)[C@H](NC(=O)OCc2ccccc2)C2CCN(CCc3ccccc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.43
GRM2 Q14416 1/20 0.43
CHRM3 P20309 1/20 0.40
OPRM1 P35372 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
DRD1 P21728 2/20 0.39
DRD4 P21917 2/20 0.39
HRH2 P25021 2/20 0.39
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
HTR2C P28335 2/20 0.39
SLC6A4 P31645 2/20 0.39
HTR7 P34969 2/20 0.39
HRH1 P35367 2/20 0.39
ADRA1B P35368 2/20 0.39
HTR2B P41595 2/20 0.39
HTR6 P50406 2/20 0.39
DRD2 P14416 1/20 0.39
DRD5 P21918 1/20 0.39

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
SCHEMBL31709092 0.93 ALDH1A1 (0.43) CHRM3OPRM1KDM4EALDH1A1
SCHEMBL31708964 0.90 CHRM3 (0.41) CHRM3KDM4EALDH1A1
SCHEMBL31709300 0.90 CHRM3 (0.42) CHRM3OPRM1KDM4EALDH1A1ADRA1B
SCHEMBL31709208 0.87 SIGMAR1 (0.42) KDM4EALDH1A1POLB
SCHEMBL31709039 0.86 CHRM3 (0.41) CHRM3OPRM1
SCHEMBL31709053 0.86 ALDH1A1 (0.40) KDM4EALDH1A1DRD4HTR7HTR6
SCHEMBL31708764 0.86 HTR2A (0.47) HTR2AGRM2CHRM3OPRM1KDM4E
SCHEMBL31708760 0.85 KDM4E (0.38) OPRM1KDM4EALDH1A1POLBGAA
SCHEMBL31709217 0.85 KDM4E (0.39) HTR2AOPRM1KDM4EALDH1A1POLB
SCHEMBL31709147 0.84 MAPK1 (0.43) HTR2ACHRM3ALDH1A1DRD1HTR2C

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 HTR2A 3355/4885GRM2 3875/4885CHRM3 4846/4885

“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.