SCHEMBL31709129

SCHEMBL31709129

CCOc1cccc(/C=C/c2nnn[nH]2)c1CN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ABCB1 P08183 1/20 0.39
PARP1 P09874 1/20 0.36
TBK1 Q9UHD2 4/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
HIF1A Q16665 1/20 0.35
POLB P06746 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
KDM1A O60341 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL31709149 0.83 CHRM2 (0.42) ALDH1A1KDM4EPARP1CHRM2CHRM4
SCHEMBL31708790 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EABCB1PARP1TBK1
SCHEMBL31709359 0.76 CHRM3 (0.38) ALDH1A1KDM4ECHRM3TDP1POLB
SCHEMBL31708812 0.72 CHRM3 (0.35) ALDH1A1CHRM3
SCHEMBL9933964 0.69 CHRM2 (0.43) ALDH1A1PARP1CHRM2CHRM4CHRM1
SCHEMBL14735139 0.68 CHRM2 (0.40) ALDH1A1KDM4EABCB1PARP1TBK1
SCHEMBL18917989 0.67 ALDH1A1 (0.60) ALDH1A1KDM4ECHRM2CHRM4CHRM1
SCHEMBL15302911 0.66 VEGFA (0.46) ALDH1A1KDM4EABCB1CHRM2CHRM4
SCHEMBL31651589 0.65 POLB (0.53) POLBCKS1BSKP1SKP2
SCHEMBL659637 0.65 PARP1 (0.46) ALDH1A1KDM4EPARP1CHRM2CHRM4

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 2774/4885ABCB1 4/4885

“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.