SCHEMBL5652815

SCHEMBL5652815

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

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.68
DRD4 P21917 9/20 0.68
DRD3 P35462 9/20 0.68
HTR1A P08908 5/20 0.68
HTR2A P28223 1/20 0.68
HTR7 P34969 1/20 0.68
HTR2B P41595 1/20 0.68
CLK2 P49760 4/20 0.38
DYRK1A Q13627 4/20 0.36
PRMT6 Q96LA8 1/20 0.35
CLK3 P49761 3/20 0.35

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
Adoprazine SCHEMBL29522743 0.81 DRD2 (1.00) DRD2DRD4DRD3HTR1AHTR2A
Adoprazine SCHEMBL678503 0.81 DRD2 (1.00) DRD2DRD4DRD3HTR1AHTR2A
Adoprazine SCHEMBL4179481 0.80 DRD2 (1.00) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL4179541 0.76 HTR1A (0.70) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL5652820 0.74 HTR1A (0.73) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL4178305 0.74 DRD2 (0.70) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL17471564 0.72 HTR1A (0.70) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL7506085 0.71 DRD2 (0.75) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL11925256 0.71 HTR1A (0.68) DRD2DRD4DRD3HTR1AHTR2A
Hydrochloric Acid SCHEMBL7987675 0.71 DRD2 (0.73) DRD2DRD4DRD3HTR1AHTR2A

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-20070275977-A1 N-OXIDES OF PYRIDYLMETHYL -PIPERAZINE AND -PIPERIDINE DERIVATIVES SOLVAY PHARMACEUTICALS B.V. (NL) 2007-11-29 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-20070275977-A1 N-OXIDES OF PYRIDYLMETHYL -PIPERAZINE AND -PIPERIDINE DERIVATIVES CHRM5, HTR5A, CHRNA5 DRD2 55/4885DRD4 78/4885DRD3 92/4885

“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.