SCHEMBL8165643

SCHEMBL8165643

CCOC(=O)COc1ccc(OCCCCN2CCN(c3ccccc3C)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR2A P28223 3/20 0.46
DRD3 P35462 3/20 0.46
DRD1 P21728 2/20 0.46
DRD4 P21917 2/20 0.46
HTR1A P08908 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.44

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
SCHEMBL183129 0.92 SLC6A2 (0.57) DRD2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8041607 0.90 KDM4E (0.50) DRD2ALDH1A1MAPK1KDM4EMEN1
SCHEMBL182966 0.90 DRD2 (0.57) DRD2HTR2ADRD3DRD1DRD4
SCHEMBL4250365 0.88 DRD2 (0.45) DRD2ALDH1A1MAPK1KDM4EMEN1
SCHEMBL1491165 0.85 KDM4E (0.43) DRD2ALDH1A1MAPK1KDM4EMEN1
SCHEMBL182524 0.77 PLA2G4B (0.54) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL246427 0.74 DRD2 (0.66) DRD2MEN1KMT2AHRH2HRH1
SCHEMBL3407475 0.73 SLC6A2 (0.61) DRD2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3157625 0.73 DRD2 (0.81) DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL3153054 0.73 DRD2 (0.80) DRD2DRD3DRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207163-B2 Compositions, synthesis, and methods of using piperazine based antipsychotic agents REVIVA PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-20090298819-A1 Compositions, Synthesis, And Methods Of Using Piperazine Based Antipsychotic Agents REVIVA PHARMACEUTICALS, INC. (US) 2009-12-03 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-20090298819-A1 Compositions, Synthesis, And Methods Of Using Piperazine Based Antipsychotic Agents GRIK5, GAP43, GRIN2D DRD2 33/4885ALDH1A1 860/4885MAPK1 3696/4885

“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.