SCHEMBL3153010

SCHEMBL3153010

O=CNCCN1CCN(c2cccnc2Cl)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 4/20 0.45
▸ DRD2 P14416 4/20 0.45
▸ DRD3 P35462 4/20 0.45
▸ GAA P10253 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HTR1A P08908 3/20 0.43
▸ HTR2A P28223 2/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ HTR2C P28335 1/20 0.42

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
SCHEMBL3153025 0.83 ADRA1A (0.46) ADRA1ADRD2DRD3GAAGFER
Hydrochloric Acid SCHEMBL2337988 0.82 ADRA1A (0.45) ADRA1ADRD2DRD3GAAGFER
SCHEMBL3156539 0.80 POLB (0.37) DRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL3156540 0.78 HTR1A (0.49) ADRA1ADRD2DRD3HTR1AHTR7
SCHEMBL3156522 0.77 HTR1A (0.45) ADRA1ADRD2DRD3HTR1AHTR2A
Hydrochloric Acid SCHEMBL3154721 0.76 HTR1A (0.54) ADRA1ADRD2DRD3ALDH1A1L3MBTL1
SCHEMBL3153019 0.75 HTR1A (0.49) DRD2GAAGFERALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL3152877 0.74 HTR1A (0.46) ADRA1ADRD2DRD3HTR1AHTR2A
Hydrochloric Acid SCHEMBL3143011 0.74 HTR1A (0.46) ADRA1ADRD2DRD3HTR1AHTR2A
SCHEMBL11155348 0.73 KCNH2 (0.67) DRD2HTR1AHTR2AHTR7HTR6

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-20100075976-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-03-25 — — 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-20100075976-A1 SUBSTITUTED PIPERAZINYL PYRAZINES AND PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR1A, HTR2C ADRA1A 293/4885DRD2 319/4885DRD3 389/4885

“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.

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