SCHEMBL31709332

SCHEMBL31709332

CCOc1cccc(F)c1CN1CCN(C(=O)[C@H](NC(=O)OCc2ccccc2)C2CCN(CCC3CCCC3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.43
BCHE P06276 5/20 0.42
ACHE P22303 5/20 0.42
CACNA1F O60840 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.38
ALOX15 P16050 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CASP1 P29466 1/20 0.37
CHRM4 P08173 1/20 0.37
TSHR P16473 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL31708931 0.99 CHRM3 (0.44) CHRM3BCHEACHECACNA1FCACNA1D
SCHEMBL31708744 0.93 BCHE (0.39) CHRM3BCHEACHECACNA1FCACNA1D
SCHEMBL31709092 0.91 ALDH1A1 (0.43) CHRM3BCHEACHECACNA1FCACNA1D
SCHEMBL31708841 0.88 HRH1 (0.40) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL31709311 0.88 HRH1 (0.41) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL31708659 0.87 KDM4E (0.39) CHRM3BCHEACHECACNA1FCACNA1D
SCHEMBL31709078 0.87 ALDH1A1 (0.43) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL31709208 0.87 SIGMAR1 (0.42) KDM4EALDH1A1ALOX15CHRM4POLB
SCHEMBL31709053 0.87 ALDH1A1 (0.40) BCHEACHECACNA1FCACNA1DCACNA1S
SCHEMBL31709217 0.86 KDM4E (0.39) BCHEACHECACNA1FCACNA1DCACNA1S

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 CHRM3 4846/4885BCHE 3644/4885ACHE 2892/4885

“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.