SCHEMBL31709092

SCHEMBL31709092

CCOc1cccc(F)c1CN1CCN(C(=O)[C@H](NC(=O)OCc2ccccc2)C2CCN(CCc3ccccc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CHRM3 P20309 1/20 0.42
OPRM1 P35372 4/20 0.41
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 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
SCHEMBL31709039 0.93 CHRM3 (0.41) CHRM3OPRM1BCHEACHECACNA1F
SCHEMBL31709053 0.93 ALDH1A1 (0.40) ALDH1A1KDM4EALOX15TDP1BCHE
SCHEMBL31709208 0.93 SIGMAR1 (0.42) ALDH1A1KDM4EALOX15
SCHEMBL31709007 0.93 HTR2A (0.43) ALDH1A1KDM4ECHRM3OPRM1
SCHEMBL31708964 0.92 CHRM3 (0.41) ALDH1A1KDM4ECHRM3ALOX15TDP1
SCHEMBL31709300 0.92 CHRM3 (0.42) ALDH1A1KDM4ECHRM3OPRM1
SCHEMBL31709217 0.92 KDM4E (0.39) ALDH1A1KDM4EOPRM1ALOX15TDP1
SCHEMBL31708941 0.92 ALDH1A1 (0.39) ALDH1A1KDM4EOPRM1ALOX15TDP1
SCHEMBL31709332 0.91 CHRM3 (0.43) ALDH1A1KDM4ECHRM3ALOX15TDP1
SCHEMBL31708760 0.91 KDM4E (0.38) ALDH1A1KDM4EOPRM1ALOX15TDP1

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 2774/4885CHRM3 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.