SCHEMBL4179541

SCHEMBL4179541

[O-][N+]1(Cc2cncc(-c3ccc(F)cc3)c2)CCN(c2cccc3c2OCCO3)CC1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.70
DRD2 P14416 7/20 0.70
DRD4 P21917 6/20 0.70
DRD3 P35462 5/20 0.70
HTR2B P41595 2/20 0.70
HTR2A P28223 1/20 0.70
HTR7 P34969 1/20 0.70
HTR1D P28221 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRB1 P08588 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
SCHEMBL17471564 0.89 HTR1A (0.70) HTR1ADRD2DRD4DRD3HTR2B
SCHEMBL4178305 0.89 DRD2 (0.70) HTR1ADRD2DRD4DRD3HTR2B
SCHEMBL11925256 0.87 HTR1A (0.68) HTR1ADRD2DRD4DRD3HTR2B
SCHEMBL14367743 0.84 HTR1A (0.52) HTR1ADRD2DRD4DRD3HTR2B
Adoprazine SCHEMBL29522743 0.83 DRD2 (1.00) HTR1ADRD2DRD4DRD3HTR2B
Adoprazine SCHEMBL678503 0.83 DRD2 (1.00) HTR1ADRD2DRD4DRD3HTR2B
Adoprazine SCHEMBL4179481 0.82 DRD2 (1.00) HTR1ADRD2DRD4DRD3HTR2B
SCHEMBL5652815 0.76 DRD2 (0.68) HTR1ADRD2DRD4DRD3HTR2B
SCHEMBL13533046 0.72 HTR1A (0.83) HTR1ADRD2DRD4DRD3HTR2B
SCHEMBL5652820 0.72 HTR1A (0.73) HTR1ADRD2DRD4DRD3HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743421-A1 COMPOUNDS Oxford University Innovation Limited (GB) 2020-12-02 EP claimed
WO-2019145718-A1 COMPOUNDS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-08-01 WO claimed
EP-2024363-A1 N-OXIDES OF PYRIDYLMETHYLPIPERAZINE AND -PIPERIDINE DERIVATIVES Solvay Pharmaceuticals B.V. (NL) 2009-02-18 EP claimed
US-20070275977-A1 N-OXIDES OF PYRIDYLMETHYL -PIPERAZINE AND -PIPERIDINE DERIVATIVES SOLVAY PHARMACEUTICALS B.V. (NL) 2007-11-29 US claimed
WO-2007128694-A1 N-OXIDES OF PYRIDYLMETHYLPIPERAZINE AND -PIPERIDINE DERIVATIVES SOLVAY PHARMACEUTICALS B.V. (NL) 2007-11-15 WO claimed
EP-3743421-A1 COMPOUNDS Oxford University Innovation Limited (GB) 2020-12-02 EP disclosed
WO-2019145718-A1 COMPOUNDS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-08-01 WO disclosed
EP-2024363-B1 N-OXIDES OF PYRIDYLMETHYLPIPERAZINE AND -PIPERIDINE DERIVATIVES ABBOTT HEALTHCARE PRODUCTS BV (NL) 2012-08-01 EP disclosed
EP-2024363-A1 N-OXIDES OF PYRIDYLMETHYLPIPERAZINE AND -PIPERIDINE DERIVATIVES Solvay Pharmaceuticals B.V. (NL) 2009-02-18 EP disclosed
US-20070275977-A1 N-OXIDES OF PYRIDYLMETHYL -PIPERAZINE AND -PIPERIDINE DERIVATIVES SOLVAY PHARMACEUTICALS B.V. (NL) 2007-11-29 US disclosed
US-20070275977-A1 N-OXIDES OF PYRIDYLMETHYL -PIPERAZINE AND -PIPERIDINE DERIVATIVES SOLVAY PHARMACEUTICALS B.V. (NL) 2007-11-29 US disclosed
US-20070275977-A1 N-OXIDES OF PYRIDYLMETHYL -PIPERAZINE AND -PIPERIDINE DERIVATIVES SOLVAY PHARMACEUTICALS B.V. (NL) 2007-11-29 US disclosed
WO-2007128694-A1 N-OXIDES OF PYRIDYLMETHYLPIPERAZINE AND -PIPERIDINE DERIVATIVES SOLVAY PHARMACEUTICALS B.V. (NL) 2007-11-15 WO disclosed
WO-2007128694-A1 N-OXIDES OF PYRIDYLMETHYLPIPERAZINE AND -PIPERIDINE DERIVATIVES SOLVAY PHARMACEUTICALS B.V. (NL) 2007-11-15 WO 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-20070275977-A1 N-OXIDES OF PYRIDYLMETHYL -PIPERAZINE AND -PIPERIDINE DERIVATIVES CHRM5, HTR5A, CHRNA5 HTR1A 41/4885DRD2 55/4885DRD4 78/4885

“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.