SCHEMBL1491165

SCHEMBL1491165

CCCC(C)(Oc1ccccc1N1CCN(CCCCOc2ccc(OCC(=O)OCC)c([N+](=O)[O-])c2)CC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
DRD2 P14416 10/20 0.43
DRD3 P35462 8/20 0.43
DRD4 P21917 7/20 0.43
DRD1 P21728 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PLA2G4B P0C869 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL4250365 0.89 DRD2 (0.45) KDM4EMEN1KMT2AALDH1A1MAPK1
SCHEMBL183129 0.87 SLC6A2 (0.57) KDM4EMEN1KMT2AALDH1A1DRD2
SCHEMBL8165643 0.85 DRD2 (0.49) KDM4EMEN1KMT2AALDH1A1MAPK1
SCHEMBL8041607 0.84 KDM4E (0.50) KDM4EMEN1KMT2AALDH1A1MAPK1
SCHEMBL182966 0.82 DRD2 (0.57) DRD2DRD3DRD4DRD1HTR2A
SCHEMBL182524 0.70 PLA2G4B (0.54) MEN1KMT2AALDH1A1MAPK1PLA2G4B
SCHEMBL3407475 0.70 SLC6A2 (0.61) KDM4EMEN1KMT2AALDH1A1DRD2
SCHEMBL3157625 0.70 DRD2 (0.81) DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL3153054 0.69 DRD2 (0.80) DRD2DRD3DRD4
SCHEMBL11183425 0.67 MAPT (0.54) KDM4EKMT2AALDH1A1MAPK1CYP2C19

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 4 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
EP-2299814-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PIPERAZINE BASED ANTIPSYCHOTIC AGENTS Reviva Pharmaceuticals, Inc. (US) 2011-03-30 EP disclosed
WO-2009154993-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PIPERAZINE BASED ANTIPSYCHOTIC AGENTS REVIVA PHARMACEUTICALS, INC. (US) 2009-12-23 WO 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 KDM4E 1834/4885MEN1 3427/4885KMT2A 1002/4885

“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.