SCHEMBL31709149

SCHEMBL31709149

CC(C)(C)OC(=O)N1CCN(Cc2ccccc2/C=C/c2nnn[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
VEGFA P15692 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
MGLL Q99685 2/20 0.40
PLA2G7 Q13093 1/20 0.40
ABHD6 Q9BV23 1/20 0.40
KDM1A O60341 4/20 0.40
ENPP2 Q13822 1/20 0.39
KDM1B Q8NB78 1/20 0.39
TERT O14746 1/20 0.39
PARP1 P09874 1/20 0.38
MAPK1 P28482 1/20 0.38
MMP1 P03956 1/20 0.37
MMP9 P14780 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
SCHEMBL31709129 0.83 ALDH1A1 (0.39) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL11900867 0.74 MPO (0.59) CHRM2CHRM4CHRM1CHRM3VEGFA
SCHEMBL9933964 0.74 CHRM2 (0.43) CHRM2CHRM4CHRM1CHRM3VEGFA
SCHEMBL659637 0.73 PARP1 (0.46) CHRM2CHRM4CHRM1CHRM3VEGFA
SCHEMBL376336 0.73 ALDH1A1 (0.60) CHRM2CHRM4CHRM1CHRM3VEGFA
SCHEMBL9933216 0.73 ALDH1A1 (0.72) CHRM2CHRM4CHRM1CHRM3VEGFA
SCHEMBL17276773 0.73 ALDH1A1 (0.72) CHRM2CHRM4CHRM1CHRM3VEGFA
SCHEMBL30576825 0.72 CHRM2 (0.52) CHRM2CHRM4CHRM1CHRM3VEGFA
SCHEMBL8560982 0.71 SMARCA2 (0.45) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL25487194 0.71 MGLL (0.44) CHRM2CHRM4CHRM1CHRM3VEGFA

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 CHRM2 4766/4885CHRM4 4852/4885CHRM1 4715/4885

“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.